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Title: Materials Data on P4Os by Materials Project

Abstract

OsP4 is Hausmannite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Os4+ sites. In the first Os4+ site, 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 octahedra tilt angles range from 53–56°. There are a spread of Os–P bond distances ranging from 2.37–2.41 Å. In the second Os4+ site, Os4+ is bonded to six P1- atoms to form OsP6 octahedra that share corners with two equivalent OsP6 octahedra, corners with fourteen PP2Os2 tetrahedra, and an edgeedge with one OsP6 octahedra. The corner-sharing octahedra tilt angles range from 53–56°. There are a spread of Os–P bond distances ranging from 2.35–2.43 Å. There are six inequivalent P1- sites. In the first P1- site, P1- is bonded to two Os4+ and two 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 54–64°. There are one shorter (2.22 Å) and one longer (2.24 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two equivalentmore » Os4+ and two P1- atoms to form PP2Os2 tetrahedra that share corners with three OsP6 octahedra, corners with eleven PP2Os2 tetrahedra, and an edgeedge with one PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 60–71°. There are one shorter (2.17 Å) and one longer (2.22 Å) P–P bond lengths. In the third P1- site, P1- is bonded to two Os4+ and two P1- atoms to form PP2Os2 tetrahedra that share corners with two OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 65–71°. There are one shorter (2.19 Å) and one longer (2.26 Å) P–P bond lengths. In the fourth P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with five OsP6 octahedra and corners with nine PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 51–79°. The P–P bond length is 2.33 Å. In the fifth P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with four OsP6 octahedra and corners with ten PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 44–78°. There are one shorter (2.21 Å) and one longer (2.33 Å) P–P bond lengths. In the sixth P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with five OsP6 octahedra and corners with nine PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 60–80°.« less

Publication Date:
Other Number(s):
mp-1103842
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; P4Os; Os-P
OSTI Identifier:
1728979
DOI:
https://doi.org/10.17188/1728979

Citation Formats

The Materials Project. Materials Data on P4Os by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728979.
The Materials Project. Materials Data on P4Os by Materials Project. United States. doi:https://doi.org/10.17188/1728979
The Materials Project. 2020. "Materials Data on P4Os by Materials Project". United States. doi:https://doi.org/10.17188/1728979. https://www.osti.gov/servlets/purl/1728979. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1728979,
title = {Materials Data on P4Os by Materials Project},
author = {The Materials Project},
abstractNote = {OsP4 is Hausmannite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Os4+ sites. In the first Os4+ site, 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 octahedra tilt angles range from 53–56°. There are a spread of Os–P bond distances ranging from 2.37–2.41 Å. In the second Os4+ site, Os4+ is bonded to six P1- atoms to form OsP6 octahedra that share corners with two equivalent OsP6 octahedra, corners with fourteen PP2Os2 tetrahedra, and an edgeedge with one OsP6 octahedra. The corner-sharing octahedra tilt angles range from 53–56°. There are a spread of Os–P bond distances ranging from 2.35–2.43 Å. There are six inequivalent P1- sites. In the first P1- site, P1- is bonded to two Os4+ and two 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 54–64°. There are one shorter (2.22 Å) and one longer (2.24 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two equivalent Os4+ and two P1- atoms to form PP2Os2 tetrahedra that share corners with three OsP6 octahedra, corners with eleven PP2Os2 tetrahedra, and an edgeedge with one PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 60–71°. There are one shorter (2.17 Å) and one longer (2.22 Å) P–P bond lengths. In the third P1- site, P1- is bonded to two Os4+ and two P1- atoms to form PP2Os2 tetrahedra that share corners with two OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 65–71°. There are one shorter (2.19 Å) and one longer (2.26 Å) P–P bond lengths. In the fourth P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with five OsP6 octahedra and corners with nine PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 51–79°. The P–P bond length is 2.33 Å. In the fifth P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with four OsP6 octahedra and corners with ten PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 44–78°. There are one shorter (2.21 Å) and one longer (2.33 Å) P–P bond lengths. In the sixth P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with five OsP6 octahedra and corners with nine PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 60–80°.},
doi = {10.17188/1728979},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}