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Title: Materials Data on Ca(ZnGe)2 by Materials Project

Abstract

Ca(ZnGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Ge atoms. All Ca–Zn bond lengths are 3.44 Å. All Ca–Ge bond lengths are 3.31 Å. Zn is bonded to four equivalent Ca and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing ZnCa4Ge4 tetrahedra. All Zn–Ge bond lengths are 2.58 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Zn, and one Ge atom. The Ge–Ge bond length is 2.51 Å.

Authors:
Publication Date:
Other Number(s):
mp-13911
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; Ca(ZnGe)2; Ca-Ge-Zn
OSTI Identifier:
1189806
DOI:
https://doi.org/10.17188/1189806

Citation Formats

The Materials Project. Materials Data on Ca(ZnGe)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189806.
The Materials Project. Materials Data on Ca(ZnGe)2 by Materials Project. United States. doi:https://doi.org/10.17188/1189806
The Materials Project. 2020. "Materials Data on Ca(ZnGe)2 by Materials Project". United States. doi:https://doi.org/10.17188/1189806. https://www.osti.gov/servlets/purl/1189806. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189806,
title = {Materials Data on Ca(ZnGe)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(ZnGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Ge atoms. All Ca–Zn bond lengths are 3.44 Å. All Ca–Ge bond lengths are 3.31 Å. Zn is bonded to four equivalent Ca and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing ZnCa4Ge4 tetrahedra. All Zn–Ge bond lengths are 2.58 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Zn, and one Ge atom. The Ge–Ge bond length is 2.51 Å.},
doi = {10.17188/1189806},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}