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

Dataset ·
DOI:https://doi.org/10.17188/1189806· OSTI ID:1189806

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1189806
Report Number(s):
mp-13911
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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