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Title: Materials Data on Ca(AsO3)2 by Materials Project

Abstract

CaAs2O6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Ca–O bond lengths are 2.40 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent CaO6 octahedra and edges with three equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All As–O bond lengths are 1.87 Å. O2- is bonded in a distorted trigonal planar geometry to one Ca2+ and two equivalent As5+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4555
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; Ca(AsO3)2; As-Ca-O
OSTI Identifier:
1208249
DOI:
10.17188/1208249

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ca(AsO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208249.
Persson, Kristin, & Project, Materials. Materials Data on Ca(AsO3)2 by Materials Project. United States. doi:10.17188/1208249.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ca(AsO3)2 by Materials Project". United States. doi:10.17188/1208249. https://www.osti.gov/servlets/purl/1208249. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208249,
title = {Materials Data on Ca(AsO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CaAs2O6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with twelve equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Ca–O bond lengths are 2.40 Å. As5+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent CaO6 octahedra and edges with three equivalent AsO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All As–O bond lengths are 1.87 Å. O2- is bonded in a distorted trigonal planar geometry to one Ca2+ and two equivalent As5+ atoms.},
doi = {10.17188/1208249},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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