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Title: Materials Data on MgUS2O21 by Materials Project

Abstract

MgUS2O21 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two MgUS2O21 ribbons oriented in the (-1, 0, 1) direction. Mg is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.00 Å) and two longer (2.01 Å) Mg–O bond lengths. U is bonded in a 5-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.82–2.42 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.54 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.28 Å. In the fourth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.21 Å. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg andmore » one O atom. The O–O bond length is 1.36 Å. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Mg and one S atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one S atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to two O atoms. The O–O bond length is 1.93 Å. In the tenth O site, O is bonded in a single-bond geometry to one S atom. In the eleventh O site, O is bonded in a single-bond geometry to one S and one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1181299
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; MgUS2O21; Mg-O-S-U
OSTI Identifier:
1680490
DOI:
https://doi.org/10.17188/1680490

Citation Formats

The Materials Project. Materials Data on MgUS2O21 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680490.
The Materials Project. Materials Data on MgUS2O21 by Materials Project. United States. doi:https://doi.org/10.17188/1680490
The Materials Project. 2020. "Materials Data on MgUS2O21 by Materials Project". United States. doi:https://doi.org/10.17188/1680490. https://www.osti.gov/servlets/purl/1680490. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1680490,
title = {Materials Data on MgUS2O21 by Materials Project},
author = {The Materials Project},
abstractNote = {MgUS2O21 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two MgUS2O21 ribbons oriented in the (-1, 0, 1) direction. Mg is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.00 Å) and two longer (2.01 Å) Mg–O bond lengths. U is bonded in a 5-coordinate geometry to five O atoms. There are a spread of U–O bond distances ranging from 1.82–2.42 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.54 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.28 Å. In the fourth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.21 Å. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.36 Å. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Mg and one S atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one S atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to two O atoms. The O–O bond length is 1.93 Å. In the tenth O site, O is bonded in a single-bond geometry to one S atom. In the eleventh O site, O is bonded in a single-bond geometry to one S and one O atom.},
doi = {10.17188/1680490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}