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Title: Materials Data on Sr2CdWO6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1193801· OSTI ID:1193801

Sr2CdWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.95 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. All W–O bond lengths are 1.96 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. There are a spread of Cd–O bond distances ranging from 2.31–2.35 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one W6+, and one Cd2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one W6+, and one Cd2+ atom. In the third O2- site, O2- is bonded to two equivalent Sr2+, one W6+, and one Cd2+ atom to form distorted corner-sharing OSr2CdW tetrahedra.

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:
1193801
Report Number(s):
mp-19014
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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