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Materials Data on Ca(GeRh)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1191705· OSTI ID:1191705
Ca(RhGe)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 Rh and eight equivalent Ge atoms. All Ca–Rh bond lengths are 3.36 Å. All Ca–Ge bond lengths are 3.24 Å. Rh is bonded to four equivalent Ca and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing RhCa4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.65 Å.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1191705
Report Number(s):
mp-16261
Country of Publication:
United States
Language:
English

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