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Title: Materials Data on Cr2Te(PO4)3 by Materials Project

Abstract

Cr2Te(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cr+2.50+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (1.96 Å) and three longer (2.04 Å) Cr–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 30–42°. There is two shorter (1.52 Å) and two longer (1.58 Å) P–O bond length. Te4+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Te–O bond lengths are 2.40 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Cr+2.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cr+2.50+, one P5+, and one Te4+ atom.

Publication Date:
Other Number(s):
mp-775273
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; Cr2Te(PO4)3; Cr-O-P-Te
OSTI Identifier:
1272934
DOI:
https://doi.org/10.17188/1272934

Citation Formats

The Materials Project. Materials Data on Cr2Te(PO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272934.
The Materials Project. Materials Data on Cr2Te(PO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1272934
The Materials Project. 2020. "Materials Data on Cr2Te(PO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1272934. https://www.osti.gov/servlets/purl/1272934. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1272934,
title = {Materials Data on Cr2Te(PO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr2Te(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cr+2.50+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (1.96 Å) and three longer (2.04 Å) Cr–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 30–42°. There is two shorter (1.52 Å) and two longer (1.58 Å) P–O bond length. Te4+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Te–O bond lengths are 2.40 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Cr+2.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cr+2.50+, one P5+, and one Te4+ atom.},
doi = {10.17188/1272934},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}