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

Abstract

CsSm(MoO4)2 crystallizes in the orthorhombic Pccm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (3.15 Å) and four longer (3.37 Å) Cs–O bond lengths. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.54 Å) Sm–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Sm3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Mo6+ atom.

Publication Date:
Other Number(s):
mp-1213184
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; CsSm(MoO4)2; Cs-Mo-O-Sm
OSTI Identifier:
1664117
DOI:
https://doi.org/10.17188/1664117

Citation Formats

The Materials Project. Materials Data on CsSm(MoO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664117.
The Materials Project. Materials Data on CsSm(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1664117
The Materials Project. 2020. "Materials Data on CsSm(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1664117. https://www.osti.gov/servlets/purl/1664117. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1664117,
title = {Materials Data on CsSm(MoO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSm(MoO4)2 crystallizes in the orthorhombic Pccm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (3.15 Å) and four longer (3.37 Å) Cs–O bond lengths. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.54 Å) Sm–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sm3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Sm3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Mo6+ atom.},
doi = {10.17188/1664117},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}