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Title: Materials Data on Cs3Ge4Au by Materials Project

Abstract

Cs3AuGe4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 5-coordinate geometry to one Au and four Ge atoms. The Cs–Au bond length is 3.65 Å. There are a spread of Cs–Ge bond distances ranging from 3.76–3.90 Å. In the second Cs site, Cs is bonded to two equivalent Au and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CsGe4Au2 octahedra. The corner-sharing octahedral tilt angles are 24°. Both Cs–Au bond lengths are 3.76 Å. There are two shorter (3.84 Å) and two longer (3.91 Å) Cs–Ge bond lengths. Au is bonded in a 8-coordinate geometry to four Cs and four Ge atoms. There are two shorter (2.66 Å) and two longer (2.67 Å) Au–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four Cs and one Au atom. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Cs and one Au atom.

Publication Date:
Other Number(s):
mp-510341
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; Cs3Ge4Au; Au-Cs-Ge
OSTI Identifier:
1262890
DOI:
https://doi.org/10.17188/1262890

Citation Formats

The Materials Project. Materials Data on Cs3Ge4Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262890.
The Materials Project. Materials Data on Cs3Ge4Au by Materials Project. United States. doi:https://doi.org/10.17188/1262890
The Materials Project. 2020. "Materials Data on Cs3Ge4Au by Materials Project". United States. doi:https://doi.org/10.17188/1262890. https://www.osti.gov/servlets/purl/1262890. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1262890,
title = {Materials Data on Cs3Ge4Au by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3AuGe4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 5-coordinate geometry to one Au and four Ge atoms. The Cs–Au bond length is 3.65 Å. There are a spread of Cs–Ge bond distances ranging from 3.76–3.90 Å. In the second Cs site, Cs is bonded to two equivalent Au and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CsGe4Au2 octahedra. The corner-sharing octahedral tilt angles are 24°. Both Cs–Au bond lengths are 3.76 Å. There are two shorter (3.84 Å) and two longer (3.91 Å) Cs–Ge bond lengths. Au is bonded in a 8-coordinate geometry to four Cs and four Ge atoms. There are two shorter (2.66 Å) and two longer (2.67 Å) Au–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four Cs and one Au atom. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Cs and one Au atom.},
doi = {10.17188/1262890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}