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Title: Materials Data on SrU(MoO4)4 by Materials Project

Abstract

SrUMo4O16 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Sr2+ is bonded to seven O2- atoms to form SrO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.48–2.58 Å. U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent SrO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.82–2.47 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.59 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.58 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sr2+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Sr2+ and one U6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry tomore » two Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Mo6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two equivalent Mo6+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent Mo6+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to two Mo6+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Mo6+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Mo6+ atom.« less

Publication Date:
Other Number(s):
mp-1208685
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; SrU(MoO4)4; Mo-O-Sr-U
OSTI Identifier:
1749589
DOI:
https://doi.org/10.17188/1749589

Citation Formats

The Materials Project. Materials Data on SrU(MoO4)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749589.
The Materials Project. Materials Data on SrU(MoO4)4 by Materials Project. United States. doi:https://doi.org/10.17188/1749589
The Materials Project. 2020. "Materials Data on SrU(MoO4)4 by Materials Project". United States. doi:https://doi.org/10.17188/1749589. https://www.osti.gov/servlets/purl/1749589. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1749589,
title = {Materials Data on SrU(MoO4)4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrUMo4O16 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Sr2+ is bonded to seven O2- atoms to form SrO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.48–2.58 Å. U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent SrO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.82–2.47 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.59 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.58 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sr2+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Sr2+ and one U6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Mo6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two equivalent Mo6+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent Mo6+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to two Mo6+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Mo6+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Mo6+ atom.},
doi = {10.17188/1749589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}