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Title: Materials Data on Mg3Sb2O7 by Materials Project

Abstract

Mg3Sb2O7 is Hausmannite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- atoms to form MgO4 trigonal pyramids that share corners with eight equivalent SbO6 octahedra and corners with two equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 66–82°. There are a spread of Mg–O bond distances ranging from 2.04–2.06 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 2.04–2.73 Å. Sb4+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with five equivalent SbO6 octahedra and corners with four equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 44–63°. There are a spread of Sb–O bond distances ranging from 2.06–2.32 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mg2+ and one Sb4+ atom to form distorted OMg3Sb tetrahedra that share corners with seven OMg3Sb tetrahedra and edges with two equivalent OMg2Sb2 tetrahedra. In the second O2- site, O2- is bonded inmore » a 3-coordinate geometry to two equivalent Mg2+ and two equivalent Sb4+ atoms. In the third O2- site, O2- is bonded to two Mg2+ and two equivalent Sb4+ atoms to form distorted OMg2Sb2 tetrahedra that share corners with four OMg2Sb2 tetrahedra and edges with two equivalent OMg3Sb tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two equivalent Sb4+ atoms.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1319021
Report Number(s):
mvc-14011
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Mg3Sb2O7; Mg-O-Sb

Citation Formats

The Materials Project. Materials Data on Mg3Sb2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319021.
The Materials Project. Materials Data on Mg3Sb2O7 by Materials Project. United States. https://doi.org/10.17188/1319021
The Materials Project. 2020. "Materials Data on Mg3Sb2O7 by Materials Project". United States. https://doi.org/10.17188/1319021. https://www.osti.gov/servlets/purl/1319021.
@article{osti_1319021,
title = {Materials Data on Mg3Sb2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Sb2O7 is Hausmannite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- atoms to form MgO4 trigonal pyramids that share corners with eight equivalent SbO6 octahedra and corners with two equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 66–82°. There are a spread of Mg–O bond distances ranging from 2.04–2.06 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 2.04–2.73 Å. Sb4+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with five equivalent SbO6 octahedra and corners with four equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 44–63°. There are a spread of Sb–O bond distances ranging from 2.06–2.32 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mg2+ and one Sb4+ atom to form distorted OMg3Sb tetrahedra that share corners with seven OMg3Sb tetrahedra and edges with two equivalent OMg2Sb2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and two equivalent Sb4+ atoms. In the third O2- site, O2- is bonded to two Mg2+ and two equivalent Sb4+ atoms to form distorted OMg2Sb2 tetrahedra that share corners with four OMg2Sb2 tetrahedra and edges with two equivalent OMg3Sb tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two equivalent Sb4+ atoms.},
doi = {10.17188/1319021},
url = {https://www.osti.gov/biblio/1319021}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}