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Title: Materials Data on Mg(WO2)2 by Materials Project

Abstract

Mg(WO2)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.20 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.20 Å. There are two inequivalent W3+ sites. In the first W3+ site, W3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. There are a spread of W–O bond distances ranging from 2.13–2.23 Å. In the second W3+ site, W3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. There are a spread of W–O bond distances ranging from 2.13–2.23 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mg2+ and three equivalent W3+ atoms. In the second O2- site, O2- is bonded inmore » a 4-coordinate geometry to four W3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mg2+ and three equivalent W3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent W3+ atoms to form distorted corner-sharing OMg2W2 tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent W3+ atoms to form distorted corner-sharing OMg2W2 tetrahedra.« less

Publication Date:
Other Number(s):
mvc-6770
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg(WO2)2; Mg-O-W
OSTI Identifier:
1652330
DOI:
https://doi.org/10.17188/1652330

Citation Formats

The Materials Project. Materials Data on Mg(WO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652330.
The Materials Project. Materials Data on Mg(WO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1652330
The Materials Project. 2020. "Materials Data on Mg(WO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1652330. https://www.osti.gov/servlets/purl/1652330. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1652330,
title = {Materials Data on Mg(WO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(WO2)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.20 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.07–2.20 Å. There are two inequivalent W3+ sites. In the first W3+ site, W3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. There are a spread of W–O bond distances ranging from 2.13–2.23 Å. In the second W3+ site, W3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. There are a spread of W–O bond distances ranging from 2.13–2.23 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mg2+ and three equivalent W3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four W3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mg2+ and three equivalent W3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent W3+ atoms to form distorted corner-sharing OMg2W2 tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent W3+ atoms to form distorted corner-sharing OMg2W2 tetrahedra.},
doi = {10.17188/1652330},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}