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Title: Materials Data on Ca3Ge(ClO2)2 by Materials Project

Abstract

Ca3GeO4Cl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Cl1- atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.59 Å. There are a spread of Ca–Cl bond distances ranging from 2.83–3.24 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Ca–O bond distances ranging from 2.29–2.70 Å. Both Ca–Cl bond lengths are 2.81 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.77–1.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three Ca2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one Ge4+ atom. Cl1- is bonded in a 3-coordinate geometry to four Ca2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-555273
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; Ca3Ge(ClO2)2; Ca-Cl-Ge-O
OSTI Identifier:
1268722
DOI:
https://doi.org/10.17188/1268722

Citation Formats

The Materials Project. Materials Data on Ca3Ge(ClO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268722.
The Materials Project. Materials Data on Ca3Ge(ClO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1268722
The Materials Project. 2020. "Materials Data on Ca3Ge(ClO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1268722. https://www.osti.gov/servlets/purl/1268722. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268722,
title = {Materials Data on Ca3Ge(ClO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3GeO4Cl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Cl1- atoms. There are a spread of Ca–O bond distances ranging from 2.30–2.59 Å. There are a spread of Ca–Cl bond distances ranging from 2.83–3.24 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Ca–O bond distances ranging from 2.29–2.70 Å. Both Ca–Cl bond lengths are 2.81 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.77–1.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three Ca2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ca2+ and one Ge4+ atom. Cl1- is bonded in a 3-coordinate geometry to four Ca2+ atoms.},
doi = {10.17188/1268722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}