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Title: Materials Data on Sr3(GeAs2)2 by Materials Project

Abstract

Sr3(GeAs2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six As3- atoms to form a mixture of corner and edge-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 3–10°. There are a spread of Sr–As bond distances ranging from 3.14–3.33 Å. In the second Sr2+ site, Sr2+ is bonded to six As3- atoms to form a mixture of corner and edge-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 2–10°. There are a spread of Sr–As bond distances ranging from 3.15–3.26 Å. In the third Sr2+ site, Sr2+ is bonded to six As3- atoms to form a mixture of corner and edge-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There are a spread of Sr–As bond distances ranging from 3.15–3.36 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spread of Ge–As bond distances ranging from 2.45–2.54 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shortermore » (2.50 Å) and two longer (2.52 Å) Ge–As bond lengths. There are four inequivalent As3- sites. In the first As3- site, As3- is bonded to four Sr2+ and two equivalent Ge3+ atoms to form AsSr4Ge2 octahedra that share corners with eight AsSr5Ge octahedra and edges with eight AsSr4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 3–93°. In the second As3- site, As3- is bonded to four Sr2+ and two Ge3+ atoms to form a mixture of corner and edge-sharing AsSr4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 6–94°. In the third As3- site, As3- is bonded to five Sr2+ and one Ge3+ atom to form a mixture of corner and edge-sharing AsSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 3–87°. In the fourth As3- site, As3- is bonded to five Sr2+ and one Ge3+ atom to form a mixture of corner and edge-sharing AsSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 3–93°.« less

Authors:
Publication Date:
Other Number(s):
mp-17504
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; Sr3(GeAs2)2; As-Ge-Sr
OSTI Identifier:
1192546
DOI:
https://doi.org/10.17188/1192546

Citation Formats

The Materials Project. Materials Data on Sr3(GeAs2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192546.
The Materials Project. Materials Data on Sr3(GeAs2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1192546
The Materials Project. 2020. "Materials Data on Sr3(GeAs2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1192546. https://www.osti.gov/servlets/purl/1192546. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1192546,
title = {Materials Data on Sr3(GeAs2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3(GeAs2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six As3- atoms to form a mixture of corner and edge-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 3–10°. There are a spread of Sr–As bond distances ranging from 3.14–3.33 Å. In the second Sr2+ site, Sr2+ is bonded to six As3- atoms to form a mixture of corner and edge-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 2–10°. There are a spread of Sr–As bond distances ranging from 3.15–3.26 Å. In the third Sr2+ site, Sr2+ is bonded to six As3- atoms to form a mixture of corner and edge-sharing SrAs6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There are a spread of Sr–As bond distances ranging from 3.15–3.36 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spread of Ge–As bond distances ranging from 2.45–2.54 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.50 Å) and two longer (2.52 Å) Ge–As bond lengths. There are four inequivalent As3- sites. In the first As3- site, As3- is bonded to four Sr2+ and two equivalent Ge3+ atoms to form AsSr4Ge2 octahedra that share corners with eight AsSr5Ge octahedra and edges with eight AsSr4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 3–93°. In the second As3- site, As3- is bonded to four Sr2+ and two Ge3+ atoms to form a mixture of corner and edge-sharing AsSr4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 6–94°. In the third As3- site, As3- is bonded to five Sr2+ and one Ge3+ atom to form a mixture of corner and edge-sharing AsSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 3–87°. In the fourth As3- site, As3- is bonded to five Sr2+ and one Ge3+ atom to form a mixture of corner and edge-sharing AsSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 3–93°.},
doi = {10.17188/1192546},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}