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Title: Materials Data on Sr2Mn2Cu(AsO)2 by Materials Project

Abstract

Sr2CuMn2As2O2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.27 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.27 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Sr–O bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.27 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Sr–O bond lengths. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to two equivalent As3- and four equivalent O2- atoms. Both Mn–As bond lengths are 3.17 Å. All Mn–O bond lengths are 2.06 Å. In the second Mn2+ site, Mn2+ is bonded to four equivalent As3- atoms tomore » form MnAs4 tetrahedra that share corners with four equivalent MnAs4 tetrahedra and edges with four equivalent CuAs4 tetrahedra. All Mn–As bond lengths are 2.58 Å. Cu2+ is bonded to four equivalent As3- atoms to form CuAs4 tetrahedra that share corners with four equivalent CuAs4 tetrahedra and edges with four equivalent MnAs4 tetrahedra. All Cu–As bond lengths are 2.58 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Sr2+, three Mn2+, and two equivalent Cu2+ atoms. O2- is bonded to four Sr2+ and two equivalent Mn2+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.« less

Publication Date:
Other Number(s):
mp-1218747
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; Sr2Mn2Cu(AsO)2; As-Cu-Mn-O-Sr
OSTI Identifier:
1642549
DOI:
https://doi.org/10.17188/1642549

Citation Formats

The Materials Project. Materials Data on Sr2Mn2Cu(AsO)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1642549.
The Materials Project. Materials Data on Sr2Mn2Cu(AsO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1642549
The Materials Project. 2019. "Materials Data on Sr2Mn2Cu(AsO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1642549. https://www.osti.gov/servlets/purl/1642549. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1642549,
title = {Materials Data on Sr2Mn2Cu(AsO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2CuMn2As2O2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.27 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.27 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Sr–O bond lengths. In the third Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Sr–As bond lengths are 3.27 Å. There are two shorter (2.66 Å) and two longer (2.67 Å) Sr–O bond lengths. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a rectangular see-saw-like geometry to two equivalent As3- and four equivalent O2- atoms. Both Mn–As bond lengths are 3.17 Å. All Mn–O bond lengths are 2.06 Å. In the second Mn2+ site, Mn2+ is bonded to four equivalent As3- atoms to form MnAs4 tetrahedra that share corners with four equivalent MnAs4 tetrahedra and edges with four equivalent CuAs4 tetrahedra. All Mn–As bond lengths are 2.58 Å. Cu2+ is bonded to four equivalent As3- atoms to form CuAs4 tetrahedra that share corners with four equivalent CuAs4 tetrahedra and edges with four equivalent MnAs4 tetrahedra. All Cu–As bond lengths are 2.58 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Sr2+, three Mn2+, and two equivalent Cu2+ atoms. O2- is bonded to four Sr2+ and two equivalent Mn2+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1642549},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}