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Title: Materials Data on P4Os by Materials Project

Abstract

OsP4 is Hausmannite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os4+ is bonded to six P1- atoms to form OsP6 octahedra that share corners with four equivalent OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are four shorter (2.39 Å) and two longer (2.43 Å) Os–P bond lengths. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to two equivalent Os4+ and two equivalent P1- atoms to form PP2Os2 tetrahedra that share corners with two equivalent OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 63–71°. There are one shorter (2.19 Å) and one longer (2.20 Å) P–P bond lengths. In the second P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with five equivalent OsP6 octahedra and corners with nine PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 47–80°. The P–P bond length is 2.35 Å.

Authors:
Publication Date:
Other Number(s):
mp-1087509
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; P4Os; Os-P
OSTI Identifier:
1732859
DOI:
https://doi.org/10.17188/1732859

Citation Formats

The Materials Project. Materials Data on P4Os by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732859.
The Materials Project. Materials Data on P4Os by Materials Project. United States. doi:https://doi.org/10.17188/1732859
The Materials Project. 2020. "Materials Data on P4Os by Materials Project". United States. doi:https://doi.org/10.17188/1732859. https://www.osti.gov/servlets/purl/1732859. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1732859,
title = {Materials Data on P4Os by Materials Project},
author = {The Materials Project},
abstractNote = {OsP4 is Hausmannite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os4+ is bonded to six P1- atoms to form OsP6 octahedra that share corners with four equivalent OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are four shorter (2.39 Å) and two longer (2.43 Å) Os–P bond lengths. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to two equivalent Os4+ and two equivalent P1- atoms to form PP2Os2 tetrahedra that share corners with two equivalent OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 63–71°. There are one shorter (2.19 Å) and one longer (2.20 Å) P–P bond lengths. In the second P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with five equivalent OsP6 octahedra and corners with nine PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 47–80°. The P–P bond length is 2.35 Å.},
doi = {10.17188/1732859},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}