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Materials Data on SrCaZn2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1720788· OSTI ID:1720788
SrCaZn2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven Zn atoms. There are a spread of Sr–Zn bond distances ranging from 3.32–3.37 Å. Ca is bonded in a 7-coordinate geometry to seven Zn atoms. There are a spread of Ca–Zn bond distances ranging from 3.21–3.54 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent Sr, three equivalent Ca, and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.63 Å. In the second Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Sr, four equivalent Ca, and two equivalent Zn atoms.
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:
1720788
Report Number(s):
mp-1218336
Country of Publication:
United States
Language:
English

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