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Title: Materials Data on CaGaGeH by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1350192· OSTI ID:1350192

CaGaGeH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ca is bonded in a distorted trigonal planar geometry to three equivalent Ge and three equivalent H atoms. All Ca–Ge bond lengths are 3.15 Å. All Ca–H bond lengths are 2.42 Å. Ga is bonded in a distorted single-bond geometry to three equivalent Ge and one H atom. All Ga–Ge bond lengths are 2.49 Å. The Ga–H bond length is 1.75 Å. Ge is bonded in a 6-coordinate geometry to three equivalent Ca and three equivalent Ga atoms. H is bonded to three equivalent Ca and one Ga atom to form corner-sharing HCa3Ga trigonal pyramids.

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:
1350192
Report Number(s):
mp-1018093
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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