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Title: Materials Data on ZrMn6(GaSn2)2 by Materials Project

Abstract

ZrMn6(GaSn2)2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to two equivalent Ga and six equivalent Sn atoms to form edge-sharing ZrGa2Sn6 hexagonal bipyramids. Both Zr–Ga bond lengths are 2.80 Å. All Zr–Sn bond lengths are 3.07 Å. Mn is bonded in a 12-coordinate geometry to two equivalent Ga and four Sn atoms. Both Mn–Ga bond lengths are 2.71 Å. There are two shorter (2.71 Å) and two longer (2.73 Å) Mn–Sn bond lengths. Ga is bonded to one Zr and six equivalent Mn atoms to form corner-sharing GaZrMn6 hexagonal pyramids. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Zr and six equivalent Mn atoms.

Publication Date:
Other Number(s):
mp-1215332
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; ZrMn6(GaSn2)2; Ga-Mn-Sn-Zr
OSTI Identifier:
1656068
DOI:
https://doi.org/10.17188/1656068

Citation Formats

The Materials Project. Materials Data on ZrMn6(GaSn2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656068.
The Materials Project. Materials Data on ZrMn6(GaSn2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1656068
The Materials Project. 2020. "Materials Data on ZrMn6(GaSn2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1656068. https://www.osti.gov/servlets/purl/1656068. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1656068,
title = {Materials Data on ZrMn6(GaSn2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrMn6(GaSn2)2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to two equivalent Ga and six equivalent Sn atoms to form edge-sharing ZrGa2Sn6 hexagonal bipyramids. Both Zr–Ga bond lengths are 2.80 Å. All Zr–Sn bond lengths are 3.07 Å. Mn is bonded in a 12-coordinate geometry to two equivalent Ga and four Sn atoms. Both Mn–Ga bond lengths are 2.71 Å. There are two shorter (2.71 Å) and two longer (2.73 Å) Mn–Sn bond lengths. Ga is bonded to one Zr and six equivalent Mn atoms to form corner-sharing GaZrMn6 hexagonal pyramids. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Zr and six equivalent Mn atoms.},
doi = {10.17188/1656068},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}