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Title: Materials Data on SrCo2(AsO4)2 by Materials Project

Abstract

SrCo2(AsO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sr–O bond distances ranging from 1.76–2.34 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Co–O bond distances ranging from 1.29–2.28 Å. In the second Co2+ site, Co2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Co–O bond distances ranging from 1.73–2.44 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.17–2.46 Å. In the second As5+ site, As5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of As–O bond distances ranging from 1.69–2.50 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Co2+ and one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one As5+ atom.more » In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Co2+ and two As5+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Co2+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one Sr2+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and one As5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one As5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and one As5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1193940
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; SrCo2(AsO4)2; As-Co-O-Sr
OSTI Identifier:
1739137
DOI:
https://doi.org/10.17188/1739137

Citation Formats

The Materials Project. Materials Data on SrCo2(AsO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1739137.
The Materials Project. Materials Data on SrCo2(AsO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1739137
The Materials Project. 2020. "Materials Data on SrCo2(AsO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1739137. https://www.osti.gov/servlets/purl/1739137. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1739137,
title = {Materials Data on SrCo2(AsO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCo2(AsO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sr2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sr–O bond distances ranging from 1.76–2.34 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Co–O bond distances ranging from 1.29–2.28 Å. In the second Co2+ site, Co2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Co–O bond distances ranging from 1.73–2.44 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.17–2.46 Å. In the second As5+ site, As5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of As–O bond distances ranging from 1.69–2.50 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Co2+ and one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Co2+ and two As5+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Co2+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one Sr2+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and one As5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one As5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and one As5+ atom.},
doi = {10.17188/1739137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}