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Title: Materials Data on SrP2 by Materials Project

Abstract

SrP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine P1- atoms. There are a spread of Sr–P bond distances ranging from 3.16–3.44 Å. In the second Sr2+ site, Sr2+ is bonded to six P1- atoms to form SrP6 octahedra that share corners with four equivalent PSr4P2 octahedra. The corner-sharing octahedra tilt angles range from 32–77°. There are a spread of Sr–P bond distances ranging from 3.07–3.09 Å. There are three inequivalent P1- sites. In the first P1- site, P1- is bonded in a 6-coordinate geometry to four Sr2+ and two P1- atoms. There are one shorter (2.21 Å) and one longer (2.25 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 6-coordinate geometry to four Sr2+ and two P1- atoms. The P–P bond length is 2.22 Å. In the third P1- site, P1- is bonded to four Sr2+ and two P1- atoms to form distorted PSr4P2 octahedra that share corners with two equivalent SrP6 octahedra and corners with seven equivalent PSr4P2 octahedra. The corner-sharing octahedra tilt angles range from 0–102°.

Authors:
Publication Date:
Other Number(s):
mp-1105302
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; SrP2; P-Sr
OSTI Identifier:
1682158
DOI:
https://doi.org/10.17188/1682158

Citation Formats

The Materials Project. Materials Data on SrP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682158.
The Materials Project. Materials Data on SrP2 by Materials Project. United States. doi:https://doi.org/10.17188/1682158
The Materials Project. 2020. "Materials Data on SrP2 by Materials Project". United States. doi:https://doi.org/10.17188/1682158. https://www.osti.gov/servlets/purl/1682158. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1682158,
title = {Materials Data on SrP2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine P1- atoms. There are a spread of Sr–P bond distances ranging from 3.16–3.44 Å. In the second Sr2+ site, Sr2+ is bonded to six P1- atoms to form SrP6 octahedra that share corners with four equivalent PSr4P2 octahedra. The corner-sharing octahedra tilt angles range from 32–77°. There are a spread of Sr–P bond distances ranging from 3.07–3.09 Å. There are three inequivalent P1- sites. In the first P1- site, P1- is bonded in a 6-coordinate geometry to four Sr2+ and two P1- atoms. There are one shorter (2.21 Å) and one longer (2.25 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 6-coordinate geometry to four Sr2+ and two P1- atoms. The P–P bond length is 2.22 Å. In the third P1- site, P1- is bonded to four Sr2+ and two P1- atoms to form distorted PSr4P2 octahedra that share corners with two equivalent SrP6 octahedra and corners with seven equivalent PSr4P2 octahedra. The corner-sharing octahedra tilt angles range from 0–102°.},
doi = {10.17188/1682158},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}