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Title: Materials Data on LiSb(MoO4)2 by Materials Project

Abstract

LiSbMo2O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four equivalent LiO6 octahedra, corners with four equivalent MoO6 octahedra, and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–59°. There are two shorter (2.13 Å) and four longer (2.20 Å) Li–O bond lengths. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent MoO6 octahedra, and an edgeedge with one LiO6 octahedra. The corner-sharing octahedra tilt angles range from 42–53°. There are a spread of Mo–O bond distances ranging from 1.76–2.23 Å. Sb3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.04 Å) and two longer (2.23 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Mo6+ atom. In the third O2- site, O2- ismore » bonded in a 2-coordinate geometry to two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two equivalent Sb3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1191914
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiSb(MoO4)2; Li-Mo-O-Sb
OSTI Identifier:
1723856
DOI:
https://doi.org/10.17188/1723856

Citation Formats

The Materials Project. Materials Data on LiSb(MoO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1723856.
The Materials Project. Materials Data on LiSb(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1723856
The Materials Project. 2020. "Materials Data on LiSb(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1723856. https://www.osti.gov/servlets/purl/1723856. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1723856,
title = {Materials Data on LiSb(MoO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSbMo2O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four equivalent LiO6 octahedra, corners with four equivalent MoO6 octahedra, and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–59°. There are two shorter (2.13 Å) and four longer (2.20 Å) Li–O bond lengths. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent MoO6 octahedra, and an edgeedge with one LiO6 octahedra. The corner-sharing octahedra tilt angles range from 42–53°. There are a spread of Mo–O bond distances ranging from 1.76–2.23 Å. Sb3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.04 Å) and two longer (2.23 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two equivalent Sb3+ atoms.},
doi = {10.17188/1723856},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}