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Title: Materials Data on Ag15(BiI4)16 by Materials Project

Abstract

Ag15(BiI4)16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are nine inequivalent Ag sites. In the first Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 2.91–3.41 Å. In the second Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 2.97–3.37 Å. In the third Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 2.97–3.38 Å. In the fourth Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 3.02–3.34 Å. In the fifth Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with twomore » equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 3.02–3.35 Å. In the sixth Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 3.01–3.35 Å. In the seventh Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 3.02–3.34 Å. In the eighth Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 3.02–3.33 Å. In the ninth Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 3.02–3.33 Å. There are nine inequivalent Bi sites. In the first Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with two equivalent BiI6 octahedra. There are two shorter (3.09 Å) and four longer (3.14 Å) Bi–I bond lengths. In the second Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with three AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.01–3.23 Å. In the third Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with four AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.10–3.17 Å. In the fourth Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with four AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.10–3.18 Å. In the fifth Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with four AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.10–3.15 Å. In the sixth Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with four AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.10–3.15 Å. In the seventh Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with four AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.10–3.16 Å. In the eighth Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with four AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.10–3.14 Å. In the ninth Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two equivalent BiI6 octahedra and edges with four AgI6 octahedra. There are two shorter (3.11 Å) and four longer (3.14 Å) Bi–I bond lengths. There are thirty-two inequivalent I sites. In the first I site, I is bonded in an L-shaped geometry to one Ag and one Bi atom. In the second I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the third I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the fourth I site, I is bonded in an L-shaped geometry to two Bi atoms. In the fifth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the sixth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the seventh I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the eighth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the ninth I site, I is bonded in a water-like geometry to one Ag and one Bi atom. In the tenth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the eleventh I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the twelfth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the thirteenth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the fourteenth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the fifteenth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the sixteenth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the seventeenth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the eighteenth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the nineteenth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the twentieth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the twenty-first I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the twenty-second I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the twenty-third I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the twenty-fourth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the twenty-fifth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the twenty-sixth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the twenty-seventh I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the twenty-eighth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the twenty-ninth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the thirtieth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the thirty-first I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the thirty-second I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1284297
Report Number(s):
mp-686149
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Ag15(BiI4)16; Ag-Bi-I

Citation Formats

The Materials Project. Materials Data on Ag15(BiI4)16 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1284297.
The Materials Project. Materials Data on Ag15(BiI4)16 by Materials Project. United States. https://doi.org/10.17188/1284297
The Materials Project. 2014. "Materials Data on Ag15(BiI4)16 by Materials Project". United States. https://doi.org/10.17188/1284297. https://www.osti.gov/servlets/purl/1284297.
@article{osti_1284297,
title = {Materials Data on Ag15(BiI4)16 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag15(BiI4)16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are nine inequivalent Ag sites. In the first Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 2.91–3.41 Å. In the second Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 2.97–3.37 Å. In the third Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 2.97–3.38 Å. In the fourth Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 3.02–3.34 Å. In the fifth Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 3.02–3.35 Å. In the sixth Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 3.01–3.35 Å. In the seventh Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 3.02–3.34 Å. In the eighth Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 3.02–3.33 Å. In the ninth Ag site, Ag is bonded to six I atoms to form AgI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with four BiI6 octahedra. There are a spread of Ag–I bond distances ranging from 3.02–3.33 Å. There are nine inequivalent Bi sites. In the first Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two equivalent AgI6 octahedra and edges with two equivalent BiI6 octahedra. There are two shorter (3.09 Å) and four longer (3.14 Å) Bi–I bond lengths. In the second Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with three AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.01–3.23 Å. In the third Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with four AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.10–3.17 Å. In the fourth Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with four AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.10–3.18 Å. In the fifth Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with four AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.10–3.15 Å. In the sixth Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with four AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.10–3.15 Å. In the seventh Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with four AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.10–3.16 Å. In the eighth Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two BiI6 octahedra and edges with four AgI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.10–3.14 Å. In the ninth Bi site, Bi is bonded to six I atoms to form BiI6 octahedra that share edges with two equivalent BiI6 octahedra and edges with four AgI6 octahedra. There are two shorter (3.11 Å) and four longer (3.14 Å) Bi–I bond lengths. There are thirty-two inequivalent I sites. In the first I site, I is bonded in an L-shaped geometry to one Ag and one Bi atom. In the second I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the third I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the fourth I site, I is bonded in an L-shaped geometry to two Bi atoms. In the fifth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the sixth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the seventh I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the eighth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the ninth I site, I is bonded in a water-like geometry to one Ag and one Bi atom. In the tenth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the eleventh I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the twelfth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the thirteenth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the fourteenth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the fifteenth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the sixteenth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the seventeenth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the eighteenth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the nineteenth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the twentieth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the twenty-first I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the twenty-second I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the twenty-third I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the twenty-fourth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the twenty-fifth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the twenty-sixth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the twenty-seventh I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the twenty-eighth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the twenty-ninth I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom. In the thirtieth I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the thirty-first I site, I is bonded in a distorted T-shaped geometry to one Ag and two Bi atoms. In the thirty-second I site, I is bonded in a distorted T-shaped geometry to two Ag and one Bi atom.},
doi = {10.17188/1284297},
url = {https://www.osti.gov/biblio/1284297}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Mar 07 00:00:00 EST 2014},
month = {Fri Mar 07 00:00:00 EST 2014}
}