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Title: Materials Data on Mg3MoO4 by Materials Project

Abstract

Mg3MoO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with four equivalent MoO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.23 Å. Mo2+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent MoO6 octahedra and edges with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 2.23 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Mo2+ atoms to form OMg4Mo2 octahedra that share corners with six equivalent OMg4Mo2 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mg bond lengths are 2.23 Å. In the second O2- site, O2- is bonded to six equivalent Mg2+ atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve OMg4Mo2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site,more » O2- is bonded to four equivalent Mg2+ and two equivalent Mo2+ atoms to form a mixture of edge and corner-sharing OMg4Mo2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Mo2+ atoms to form a mixture of edge and corner-sharing OMg4Mo2 octahedra. The corner-sharing octahedral tilt angles are 0°.« less

Publication Date:
Other Number(s):
mp-1099250
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; Mg3MoO4; Mg-Mo-O
OSTI Identifier:
1677986
DOI:
https://doi.org/10.17188/1677986

Citation Formats

The Materials Project. Materials Data on Mg3MoO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677986.
The Materials Project. Materials Data on Mg3MoO4 by Materials Project. United States. doi:https://doi.org/10.17188/1677986
The Materials Project. 2020. "Materials Data on Mg3MoO4 by Materials Project". United States. doi:https://doi.org/10.17188/1677986. https://www.osti.gov/servlets/purl/1677986. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1677986,
title = {Materials Data on Mg3MoO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3MoO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with four equivalent MoO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.23 Å. Mo2+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent MoO6 octahedra and edges with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 2.23 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Mo2+ atoms to form OMg4Mo2 octahedra that share corners with six equivalent OMg4Mo2 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mg bond lengths are 2.23 Å. In the second O2- site, O2- is bonded to six equivalent Mg2+ atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve OMg4Mo2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Mo2+ atoms to form a mixture of edge and corner-sharing OMg4Mo2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Mo2+ atoms to form a mixture of edge and corner-sharing OMg4Mo2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1677986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}