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Title: Materials Data on MoP4 by Materials Project

Abstract

MoP4 is Hausmannite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mo4+ is bonded to six P1- atoms to form MoP6 octahedra that share corners with six equivalent PMo2P2 tetrahedra and edges with two equivalent MoP6 octahedra. There are a spread of Mo–P bond distances ranging from 2.40–2.48 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a distorted rectangular see-saw-like geometry to one Mo4+ and three P1- atoms. There are a spread of P–P bond distances ranging from 2.22–2.24 Å. In the second P1- site, P1- is bonded to two equivalent Mo4+ and two P1- atoms to form PMo2P2 tetrahedra that share corners with three equivalent MoP6 octahedra, corners with four equivalent PMo2P2 tetrahedra, and an edgeedge with one PMo2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 54–62°. The P–P bond length is 2.21 Å.

Publication Date:
Other Number(s):
mp-11508
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; MoP4; Mo-P
OSTI Identifier:
1188018
DOI:
https://doi.org/10.17188/1188018

Citation Formats

The Materials Project. Materials Data on MoP4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188018.
The Materials Project. Materials Data on MoP4 by Materials Project. United States. doi:https://doi.org/10.17188/1188018
The Materials Project. 2020. "Materials Data on MoP4 by Materials Project". United States. doi:https://doi.org/10.17188/1188018. https://www.osti.gov/servlets/purl/1188018. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1188018,
title = {Materials Data on MoP4 by Materials Project},
author = {The Materials Project},
abstractNote = {MoP4 is Hausmannite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mo4+ is bonded to six P1- atoms to form MoP6 octahedra that share corners with six equivalent PMo2P2 tetrahedra and edges with two equivalent MoP6 octahedra. There are a spread of Mo–P bond distances ranging from 2.40–2.48 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a distorted rectangular see-saw-like geometry to one Mo4+ and three P1- atoms. There are a spread of P–P bond distances ranging from 2.22–2.24 Å. In the second P1- site, P1- is bonded to two equivalent Mo4+ and two P1- atoms to form PMo2P2 tetrahedra that share corners with three equivalent MoP6 octahedra, corners with four equivalent PMo2P2 tetrahedra, and an edgeedge with one PMo2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 54–62°. The P–P bond length is 2.21 Å.},
doi = {10.17188/1188018},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}