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Title: Materials Data on TiP2 by Materials Project

Abstract

TiP2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti4+ is bonded in a 9-coordinate geometry to nine P2- atoms. There are a spread of Ti–P bond distances ranging from 2.52–2.67 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 7-coordinate geometry to five equivalent Ti4+ and two equivalent P2- atoms. Both P–P bond lengths are 2.59 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Ti4+ and four P2- atoms. Both P–P bond lengths are 2.35 Å.

Publication Date:
Other Number(s):
mp-20327
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; TiP2; P-Ti
OSTI Identifier:
1195449
DOI:
https://doi.org/10.17188/1195449

Citation Formats

The Materials Project. Materials Data on TiP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195449.
The Materials Project. Materials Data on TiP2 by Materials Project. United States. doi:https://doi.org/10.17188/1195449
The Materials Project. 2020. "Materials Data on TiP2 by Materials Project". United States. doi:https://doi.org/10.17188/1195449. https://www.osti.gov/servlets/purl/1195449. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195449,
title = {Materials Data on TiP2 by Materials Project},
author = {The Materials Project},
abstractNote = {TiP2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti4+ is bonded in a 9-coordinate geometry to nine P2- atoms. There are a spread of Ti–P bond distances ranging from 2.52–2.67 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 7-coordinate geometry to five equivalent Ti4+ and two equivalent P2- atoms. Both P–P bond lengths are 2.59 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Ti4+ and four P2- atoms. Both P–P bond lengths are 2.35 Å.},
doi = {10.17188/1195449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}