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Title: Materials Data on TiMnP by Materials Project

Abstract

TiMnP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.52 Å) and one longer (2.55 Å) Ti–P bond lengths. Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.38 Å) Mn–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 Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Mn atoms.

Publication Date:
Other Number(s):
mp-1206854
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; TiMnP; Mn-P-Ti
OSTI Identifier:
1652537
DOI:
https://doi.org/10.17188/1652537

Citation Formats

The Materials Project. Materials Data on TiMnP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652537.
The Materials Project. Materials Data on TiMnP by Materials Project. United States. doi:https://doi.org/10.17188/1652537
The Materials Project. 2020. "Materials Data on TiMnP by Materials Project". United States. doi:https://doi.org/10.17188/1652537. https://www.osti.gov/servlets/purl/1652537. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1652537,
title = {Materials Data on TiMnP by Materials Project},
author = {The Materials Project},
abstractNote = {TiMnP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.52 Å) and one longer (2.55 Å) Ti–P bond lengths. Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.38 Å) Mn–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 Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Mn atoms.},
doi = {10.17188/1652537},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}