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Title: Materials Data on Sr2CdWO6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1193590· OSTI ID:1193590

Sr2CdWO6 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.92 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 1–12°. There are a spread of W–O bond distances ranging from 1.92–1.97 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 1–12°. There are a spread of Cd–O bond distances ranging from 2.24–2.28 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 to four equivalent Sr2+, one W6+, and one Cd2+ atom to form a mixture of distorted edge, face, and corner-sharing OSr4CdW octahedra. The corner-sharing octahedral tilt angles are 53°. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one W6+, and one Cd2+ atom.

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:
1193590
Report Number(s):
mp-18888
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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