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Materials Data on Sr3GeO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1205290· OSTI ID:1205290
Sr3GeO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 2-coordinate geometry to three equivalent Ge and two equivalent O atoms. There are a spread of Sr–Ge bond distances ranging from 3.23–3.61 Å. Both Sr–O bond lengths are 2.58 Å. In the second Sr site, Sr is bonded in a 2-coordinate geometry to two equivalent Ge and two equivalent O atoms. There are one shorter (3.20 Å) and one longer (3.42 Å) Sr–Ge bond lengths. Both Sr–O bond lengths are 2.58 Å. Ge is bonded in a 9-coordinate geometry to eight Sr atoms. O is bonded to six Sr atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedra tilt angles range from 19–20°.
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:
1205290
Report Number(s):
mp-30950
Country of Publication:
United States
Language:
English

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