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Title: Materials Data on TiCrP by Materials Project

Abstract

TiCrP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Cr and five P atoms. There are two shorter (2.72 Å) and four longer (2.79 Å) Ti–Cr bond lengths. There are four shorter (2.53 Å) and one longer (2.60 Å) Ti–P bond lengths. Cr is bonded in a 4-coordinate geometry to six equivalent Ti and four P atoms. There are two shorter (2.30 Å) and two longer (2.43 Å) Cr–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Cr atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Cr atoms.

Publication Date:
Other Number(s):
mp-11580
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; TiCrP; Cr-P-Ti
OSTI Identifier:
1188085
DOI:
https://doi.org/10.17188/1188085

Citation Formats

The Materials Project. Materials Data on TiCrP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188085.
The Materials Project. Materials Data on TiCrP by Materials Project. United States. doi:https://doi.org/10.17188/1188085
The Materials Project. 2020. "Materials Data on TiCrP by Materials Project". United States. doi:https://doi.org/10.17188/1188085. https://www.osti.gov/servlets/purl/1188085. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188085,
title = {Materials Data on TiCrP by Materials Project},
author = {The Materials Project},
abstractNote = {TiCrP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Cr and five P atoms. There are two shorter (2.72 Å) and four longer (2.79 Å) Ti–Cr bond lengths. There are four shorter (2.53 Å) and one longer (2.60 Å) Ti–P bond lengths. Cr is bonded in a 4-coordinate geometry to six equivalent Ti and four P atoms. There are two shorter (2.30 Å) and two longer (2.43 Å) Cr–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Cr atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Cr atoms.},
doi = {10.17188/1188085},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}