skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cs3Hg20 by Materials Project

Abstract

Cs3Hg20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are four inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to twenty Hg atoms. There are a spread of Cs–Hg bond distances ranging from 4.12–4.37 Å. In the second Cs site, Cs is bonded in a 12-coordinate geometry to twenty Hg atoms. There are a spread of Cs–Hg bond distances ranging from 4.12–4.37 Å. In the third Cs site, Cs is bonded in a 12-coordinate geometry to twenty Hg atoms. There are a spread of Cs–Hg bond distances ranging from 4.12–4.37 Å. In the fourth Cs site, Cs is bonded in a 12-coordinate geometry to twenty Hg atoms. There are a spread of Cs–Hg bond distances ranging from 4.12–4.37 Å. There are twenty-eight inequivalent Hg sites. In the first Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. The Hg–Cs bond length is 4.26 Å. There are a spread of Hg–Hg bondmore » distances ranging from 3.14–3.36 Å. In the third Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the fourth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the fifth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. The Hg–Cs bond length is 4.26 Å. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the sixth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.16–3.36 Å. In the seventh Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the eighth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the ninth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the tenth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. The Hg–Cs bond length is 4.26 Å. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the eleventh Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the twelfth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.16–3.36 Å. In the thirteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. The Hg–Cs bond length is 4.12 Å. Both Hg–Hg bond lengths are 3.21 Å. In the fourteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. All Hg–Hg bond lengths are 3.21 Å. In the fifteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. Both Hg–Cs bond lengths are 4.12 Å. All Hg–Hg bond lengths are 3.21 Å. In the sixteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. The Hg–Cs bond length is 4.12 Å. The Hg–Hg bond length is 3.21 Å. In the seventeenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. The Hg–Cs bond length is 4.12 Å. All Hg–Hg bond lengths are 3.21 Å. In the eighteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. Both Hg–Cs bond lengths are 4.12 Å. Both Hg–Hg bond lengths are 3.21 Å. In the nineteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. All Hg–Hg bond lengths are 3.21 Å. In the twentieth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. The Hg–Cs bond length is 4.12 Å. Both Hg–Hg bond lengths are 3.21 Å. In the twenty-first Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Cs and four Hg atoms. Both Hg–Hg bond lengths are 3.16 Å. In the twenty-second Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Cs and four Hg atoms. The Hg–Hg bond length is 3.16 Å. In the twenty-third Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Cs and four Hg atoms. In the twenty-fourth Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Cs and four Hg atoms. In the twenty-fifth Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Cs and four Hg atoms. Both Hg–Hg bond lengths are 3.16 Å. In the twenty-sixth Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Cs and four Hg atoms. The Hg–Hg bond length is 3.16 Å. In the twenty-seventh Hg site, Hg is bonded in a cuboctahedral geometry to twelve Hg atoms. In the twenty-eighth Hg site, Hg is bonded in a cuboctahedral geometry to twelve Hg atoms.« less

Publication Date:
Other Number(s):
mp-11027
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs3Hg20; Cs-Hg
OSTI Identifier:
1187533
DOI:
10.17188/1187533

Citation Formats

The Materials Project. Materials Data on Cs3Hg20 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1187533.
The Materials Project. Materials Data on Cs3Hg20 by Materials Project. United States. doi:10.17188/1187533.
The Materials Project. 2017. "Materials Data on Cs3Hg20 by Materials Project". United States. doi:10.17188/1187533. https://www.osti.gov/servlets/purl/1187533. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1187533,
title = {Materials Data on Cs3Hg20 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3Hg20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are four inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to twenty Hg atoms. There are a spread of Cs–Hg bond distances ranging from 4.12–4.37 Å. In the second Cs site, Cs is bonded in a 12-coordinate geometry to twenty Hg atoms. There are a spread of Cs–Hg bond distances ranging from 4.12–4.37 Å. In the third Cs site, Cs is bonded in a 12-coordinate geometry to twenty Hg atoms. There are a spread of Cs–Hg bond distances ranging from 4.12–4.37 Å. In the fourth Cs site, Cs is bonded in a 12-coordinate geometry to twenty Hg atoms. There are a spread of Cs–Hg bond distances ranging from 4.12–4.37 Å. There are twenty-eight inequivalent Hg sites. In the first Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. The Hg–Cs bond length is 4.26 Å. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the third Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the fourth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the fifth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. The Hg–Cs bond length is 4.26 Å. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the sixth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.16–3.36 Å. In the seventh Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the eighth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the ninth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the tenth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. The Hg–Cs bond length is 4.26 Å. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the eleventh Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.14–3.36 Å. In the twelfth Hg site, Hg is bonded in a 8-coordinate geometry to three Cs and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.16–3.36 Å. In the thirteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. The Hg–Cs bond length is 4.12 Å. Both Hg–Hg bond lengths are 3.21 Å. In the fourteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. All Hg–Hg bond lengths are 3.21 Å. In the fifteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. Both Hg–Cs bond lengths are 4.12 Å. All Hg–Hg bond lengths are 3.21 Å. In the sixteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. The Hg–Cs bond length is 4.12 Å. The Hg–Hg bond length is 3.21 Å. In the seventeenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. The Hg–Cs bond length is 4.12 Å. All Hg–Hg bond lengths are 3.21 Å. In the eighteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. Both Hg–Cs bond lengths are 4.12 Å. Both Hg–Hg bond lengths are 3.21 Å. In the nineteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. All Hg–Hg bond lengths are 3.21 Å. In the twentieth Hg site, Hg is bonded in a 9-coordinate geometry to three Cs and six Hg atoms. The Hg–Cs bond length is 4.12 Å. Both Hg–Hg bond lengths are 3.21 Å. In the twenty-first Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Cs and four Hg atoms. Both Hg–Hg bond lengths are 3.16 Å. In the twenty-second Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Cs and four Hg atoms. The Hg–Hg bond length is 3.16 Å. In the twenty-third Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Cs and four Hg atoms. In the twenty-fourth Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Cs and four Hg atoms. In the twenty-fifth Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Cs and four Hg atoms. Both Hg–Hg bond lengths are 3.16 Å. In the twenty-sixth Hg site, Hg is bonded in a distorted body-centered cubic geometry to four Cs and four Hg atoms. The Hg–Hg bond length is 3.16 Å. In the twenty-seventh Hg site, Hg is bonded in a cuboctahedral geometry to twelve Hg atoms. In the twenty-eighth Hg site, Hg is bonded in a cuboctahedral geometry to twelve Hg atoms.},
doi = {10.17188/1187533},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

Dataset:

Save / Share: