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Title: Materials Data on Ca3GeO by Materials Project

Abstract

Ca3GeO crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are two shorter (3.20 Å) and two longer (3.51 Å) Ca–Ge bond lengths. Both Ca–O bond lengths are 2.38 Å. In the second Ca site, Ca is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are a spread of Ca–Ge bond distances ranging from 3.08–3.64 Å. Both Ca–O bond lengths are 2.39 Å. Ge is bonded in a 12-coordinate geometry to twelve Ca atoms. O is bonded to six Ca atoms to form corner-sharing OCa6 octahedra. The corner-sharing octahedra tilt angles range from 10–14°.

Authors:
Publication Date:
Other Number(s):
mp-17193
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; Ca3GeO; Ca-Ge-O
OSTI Identifier:
1192385
DOI:
https://doi.org/10.17188/1192385

Citation Formats

The Materials Project. Materials Data on Ca3GeO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192385.
The Materials Project. Materials Data on Ca3GeO by Materials Project. United States. doi:https://doi.org/10.17188/1192385
The Materials Project. 2020. "Materials Data on Ca3GeO by Materials Project". United States. doi:https://doi.org/10.17188/1192385. https://www.osti.gov/servlets/purl/1192385. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1192385,
title = {Materials Data on Ca3GeO by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3GeO crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are two shorter (3.20 Å) and two longer (3.51 Å) Ca–Ge bond lengths. Both Ca–O bond lengths are 2.38 Å. In the second Ca site, Ca is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are a spread of Ca–Ge bond distances ranging from 3.08–3.64 Å. Both Ca–O bond lengths are 2.39 Å. Ge is bonded in a 12-coordinate geometry to twelve Ca atoms. O is bonded to six Ca atoms to form corner-sharing OCa6 octahedra. The corner-sharing octahedra tilt angles range from 10–14°.},
doi = {10.17188/1192385},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}