U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca7Ge6 by Materials Project
Abstract
Ca7Ge6 is delta Molybdenum Boride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ca–Ge bond distances ranging from 2.99–3.17 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.16–3.50 Å. In the third Ca site, Ca is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.08–3.37 Å. In the fourth Ca site, Ca is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ca–Ge bond distances ranging from 2.96–3.47 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Gemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-16571
- 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; Ca7Ge6; Ca-Ge
- OSTI Identifier:
- 1192038
- DOI:
- https://doi.org/10.17188/1192038
Citation Formats
The Materials Project. Materials Data on Ca7Ge6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192038.
The Materials Project. Materials Data on Ca7Ge6 by Materials Project. United States. doi:https://doi.org/10.17188/1192038
The Materials Project. 2020.
"Materials Data on Ca7Ge6 by Materials Project". United States. doi:https://doi.org/10.17188/1192038. https://www.osti.gov/servlets/purl/1192038. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1192038,
title = {Materials Data on Ca7Ge6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca7Ge6 is delta Molybdenum Boride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ca–Ge bond distances ranging from 2.99–3.17 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.16–3.50 Å. In the third Ca site, Ca is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.08–3.37 Å. In the fourth Ca site, Ca is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ca–Ge bond distances ranging from 2.96–3.47 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Ca and one Ge atom. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to seven Ca and two Ge atoms. The Ge–Ge bond length is 2.55 Å.},
doi = {10.17188/1192038},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}