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Title: Materials Data on Sr2MnCu2(SO)2 by Materials Project

Abstract

Sr2MnCu2(SO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Sr–S bond lengths are 3.23 Å. All Sr–O bond lengths are 2.63 Å. Mn2+ is bonded in a square co-planar geometry to two equivalent S2- and four equivalent O2- atoms. Both Mn–S bond lengths are 3.06 Å. All Mn–O bond lengths are 2.05 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.45 Å. S2- is bonded in a 9-coordinate geometry to four equivalent Sr2+, one Mn2+, and four equivalent Cu1+ atoms. O2- is bonded to four equivalent Sr2+ and two equivalent Mn2+ atoms to form a mixture of corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-555285
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; Sr2MnCu2(SO)2; Cu-Mn-O-S-Sr
OSTI Identifier:
1268731
DOI:
10.17188/1268731

Citation Formats

The Materials Project. Materials Data on Sr2MnCu2(SO)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1268731.
The Materials Project. Materials Data on Sr2MnCu2(SO)2 by Materials Project. United States. doi:10.17188/1268731.
The Materials Project. 2017. "Materials Data on Sr2MnCu2(SO)2 by Materials Project". United States. doi:10.17188/1268731. https://www.osti.gov/servlets/purl/1268731. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1268731,
title = {Materials Data on Sr2MnCu2(SO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2MnCu2(SO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Sr–S bond lengths are 3.23 Å. All Sr–O bond lengths are 2.63 Å. Mn2+ is bonded in a square co-planar geometry to two equivalent S2- and four equivalent O2- atoms. Both Mn–S bond lengths are 3.06 Å. All Mn–O bond lengths are 2.05 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.45 Å. S2- is bonded in a 9-coordinate geometry to four equivalent Sr2+, one Mn2+, and four equivalent Cu1+ atoms. O2- is bonded to four equivalent Sr2+ and two equivalent Mn2+ atoms to form a mixture of corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1268731},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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