Search Navigation Menu
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scientific Data

Title: Materials Data on TlAgAs2PbS5 by Materials Project

Abstract

AgTlPbAs2S5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–3.04 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal pyramidal geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.84 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal pyramidal geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.84 Å. In the fourth Ag1+ site, Ag1+ is bonded in a distorted trigonal pyramidal geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.84 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–3.08 Å. In the sixth Ag1+ site, Ag1+ is bonded in a distorted trigonal pyramidal geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.85 Å. In the seventh Ag1+ site, Ag1+more » is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–3.08 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–3.08 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.98 Å. In the tenth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–3.01 Å. There are ten inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.08–3.99 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.08–3.42 Å. In the third Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.03–3.92 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.10–3.42 Å. In the fifth Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.02–3.91 Å. In the sixth Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.10–3.42 Å. In the seventh Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.03–3.91 Å. In the eighth Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.10–3.42 Å. In the ninth Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.03–3.93 Å. In the tenth Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.01–3.83 Å. There are ten inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.81–3.43 Å. In the second Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to three S2- atoms. There are a spread of Pb–S bond distances ranging from 2.76–3.54 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.82–3.40 Å. In the fourth Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to three S2- atoms. There are two shorter (2.76 Å) and one longer (3.55 Å) Pb–S bond lengths. In the fifth Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.82–3.41 Å. In the sixth Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.87–3.46 Å. In the seventh Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to three S2- atoms. There are two shorter (2.76 Å) and one longer (3.55 Å) Pb–S bond lengths. In the eighth Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.82–3.41 Å. In the ninth Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to three S2- atoms. There are a spread of Pb–S bond distances ranging from 2.73–3.57 Å. In the tenth Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.85–3.43 Å. There are twenty inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.34 Å. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.33 Å. In the third As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.24–2.38 Å. In the fourth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.33 Å. In the fifth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.32 Å. In the sixth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.23–2.35 Å. In the seventh As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.33 Å. In the eighth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.32 Å. In the ninth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.23–2.35 Å. In the tenth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.35 Å. In the eleventh As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.34 Å. In the twelfth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.32 Å. In the thirteenth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.23–2.36 Å. In the fourteenth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.35 Å. In the fifteenth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.32 Å. In the sixteenth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.26 Å) and two longer (2.32 Å) As–S bond lengths. In the seventeenth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.35 Å. In the eighteenth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.35 Å. In the nineteenth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.35 Å. In the twentieth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.37 Å. There are forty-eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two Tl1+, one Pb2+, and one As3+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Tl1+, one Pb2+, and one As3+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to one Ag1+, two Tl1+, and one As3+ atom. In the fifth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, three Tl1+, one Pb2+, and one As3+ atom. In the sixth S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the seventh S2- site, S2- is bonded in a 2-coordinate geometry to one Tl1+, one Pb2+, and two As3+ atoms. In the eighth S2- site, S2- is bonded in a distorted L-shaped geometry to two Tl1+, one Pb2+, and two As3+ atoms. In the ninth S2- site, S2- is bonded in a 4-coordinate geometry to one Ag1+, two Tl1+, and one As3+ atom. In the tenth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the eleventh S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the twelfth S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the thirteenth S2- site, S2- is bonded in a 3-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the fourteenth S2- site, S2- is bonded in a 2-coordinate geometry to one Tl1+, one Pb2+, and two As3+ atoms. In the fifteenth S2- site, S2- is bonded in a distorted L-shaped geometry to two Tl1+, one Pb2+, and two As3+ atoms. In the sixteenth S2- site, S2- is bonded in a 4-coordinate geometry to two Tl1+, one Pb2+, and one As3+ atom. In the seventeenth S2- site, S2- is bonded in a 4-coordinate geometry to one Ag1+, two Tl1+, and one As3+ atom. In the eighteenth S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the nineteenth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the twentieth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the twenty-first S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the twenty-second S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, one Tl1+, two Pb2+, and one As3+ atom. In the twenty-third S2- site, S2- is bonded in a 3-coordinate geometry to one Tl1+, two Pb2+, and one As3+ atom. In the twenty-fourth S2- site, S2- is bonded in a distorted L-shaped geometry to two Tl1+, one Pb2+, and two As3+ atoms. In the twenty-fifth S2- site, S2- is bonded in a 1-coordinate geometry to one Tl1+, two Pb2+, and one As3+ atom. In the twenty-sixth S2- site, S2- is bonded in a 4-coordinate geometry to one Ag1+, two Tl1+, and one As3+ atom. In the twenty-seventh S2- site, S2- is bonded in a 2-coordinate geometry to two Ag1+, one Tl1+, one Pb2+, and one As3+ atom. In the twenty-eighth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the twenty-ninth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the thirtieth S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the thirty-first S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, one Tl1+, two Pb2+, and one As3+« less

Authors:
Publication Date:
Other Number(s):
mp-697231
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TlAgAs2PbS5; Ag-As-Pb-S-Tl
OSTI Identifier:
1285136
DOI:
https://doi.org/10.17188/1285136

Citation Formats

The Materials Project. Materials Data on TlAgAs2PbS5 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1285136.
Copy to clipboard
The Materials Project. Materials Data on TlAgAs2PbS5 by Materials Project. United States. doi:https://doi.org/10.17188/1285136
Copy to clipboard
The Materials Project. 2014. "Materials Data on TlAgAs2PbS5 by Materials Project". United States. doi:https://doi.org/10.17188/1285136. https://www.osti.gov/servlets/purl/1285136. Pub date:Sat May 03 00:00:00 EDT 2014
Copy to clipboard
@article{osti_1285136,
title = {Materials Data on TlAgAs2PbS5 by Materials Project},
author = {The Materials Project},
abstractNote = {AgTlPbAs2S5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–3.04 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal pyramidal geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.84 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal pyramidal geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.84 Å. In the fourth Ag1+ site, Ag1+ is bonded in a distorted trigonal pyramidal geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.84 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–3.08 Å. In the sixth Ag1+ site, Ag1+ is bonded in a distorted trigonal pyramidal geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.85 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–3.08 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.51–3.08 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.98 Å. In the tenth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–3.01 Å. There are ten inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.08–3.99 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.08–3.42 Å. In the third Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.03–3.92 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.10–3.42 Å. In the fifth Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.02–3.91 Å. In the sixth Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.10–3.42 Å. In the seventh Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.03–3.91 Å. In the eighth Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.10–3.42 Å. In the ninth Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.03–3.93 Å. In the tenth Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.01–3.83 Å. There are ten inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.81–3.43 Å. In the second Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to three S2- atoms. There are a spread of Pb–S bond distances ranging from 2.76–3.54 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.82–3.40 Å. In the fourth Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to three S2- atoms. There are two shorter (2.76 Å) and one longer (3.55 Å) Pb–S bond lengths. In the fifth Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.82–3.41 Å. In the sixth Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.87–3.46 Å. In the seventh Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to three S2- atoms. There are two shorter (2.76 Å) and one longer (3.55 Å) Pb–S bond lengths. In the eighth Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.82–3.41 Å. In the ninth Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to three S2- atoms. There are a spread of Pb–S bond distances ranging from 2.73–3.57 Å. In the tenth Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.85–3.43 Å. There are twenty inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.34 Å. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.33 Å. In the third As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.24–2.38 Å. In the fourth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.33 Å. In the fifth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.32 Å. In the sixth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.23–2.35 Å. In the seventh As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.33 Å. In the eighth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.32 Å. In the ninth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.23–2.35 Å. In the tenth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.35 Å. In the eleventh As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.34 Å. In the twelfth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.32 Å. In the thirteenth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.23–2.36 Å. In the fourteenth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.35 Å. In the fifteenth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.32 Å. In the sixteenth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.26 Å) and two longer (2.32 Å) As–S bond lengths. In the seventeenth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.35 Å. In the eighteenth As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.35 Å. In the nineteenth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.35 Å. In the twentieth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.37 Å. There are forty-eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two Tl1+, one Pb2+, and one As3+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Tl1+, one Pb2+, and one As3+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to one Ag1+, two Tl1+, and one As3+ atom. In the fifth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, three Tl1+, one Pb2+, and one As3+ atom. In the sixth S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the seventh S2- site, S2- is bonded in a 2-coordinate geometry to one Tl1+, one Pb2+, and two As3+ atoms. In the eighth S2- site, S2- is bonded in a distorted L-shaped geometry to two Tl1+, one Pb2+, and two As3+ atoms. In the ninth S2- site, S2- is bonded in a 4-coordinate geometry to one Ag1+, two Tl1+, and one As3+ atom. In the tenth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the eleventh S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the twelfth S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the thirteenth S2- site, S2- is bonded in a 3-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the fourteenth S2- site, S2- is bonded in a 2-coordinate geometry to one Tl1+, one Pb2+, and two As3+ atoms. In the fifteenth S2- site, S2- is bonded in a distorted L-shaped geometry to two Tl1+, one Pb2+, and two As3+ atoms. In the sixteenth S2- site, S2- is bonded in a 4-coordinate geometry to two Tl1+, one Pb2+, and one As3+ atom. In the seventeenth S2- site, S2- is bonded in a 4-coordinate geometry to one Ag1+, two Tl1+, and one As3+ atom. In the eighteenth S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the nineteenth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the twentieth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the twenty-first S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the twenty-second S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, one Tl1+, two Pb2+, and one As3+ atom. In the twenty-third S2- site, S2- is bonded in a 3-coordinate geometry to one Tl1+, two Pb2+, and one As3+ atom. In the twenty-fourth S2- site, S2- is bonded in a distorted L-shaped geometry to two Tl1+, one Pb2+, and two As3+ atoms. In the twenty-fifth S2- site, S2- is bonded in a 1-coordinate geometry to one Tl1+, two Pb2+, and one As3+ atom. In the twenty-sixth S2- site, S2- is bonded in a 4-coordinate geometry to one Ag1+, two Tl1+, and one As3+ atom. In the twenty-seventh S2- site, S2- is bonded in a 2-coordinate geometry to two Ag1+, one Tl1+, one Pb2+, and one As3+ atom. In the twenty-eighth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the twenty-ninth S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the thirtieth S2- site, S2- is bonded in a 6-coordinate geometry to two Ag1+, two Tl1+, one Pb2+, and one As3+ atom. In the thirty-first S2- site, S2- is bonded in a 2-coordinate geometry to one Ag1+, one Tl1+, two Pb2+, and one As3+},
doi = {10.17188/1285136},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 03 00:00:00 EDT 2014},
month = {Sat May 03 00:00:00 EDT 2014}
}
Copy to clipboard
Dataset:
View Dataset
DOI: https://doi.org/10.17188/1285136
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Similar records in DOE Data Explorer and OSTI.GOV collections: