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Title: Materials Data on P3Au2 by Materials Project

Abstract

Au2P3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Au+0.50+ sites. In the first Au+0.50+ site, Au+0.50+ is bonded in a distorted linear geometry to four P+0.33- atoms. There are two shorter (2.37 Å) and two longer (3.08 Å) Au–P bond lengths. In the second Au+0.50+ site, Au+0.50+ is bonded in a linear geometry to two equivalent P+0.33- atoms. Both Au–P bond lengths are 2.37 Å. There are two inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 5-coordinate geometry to two equivalent Au+0.50+ and three P+0.33- atoms. There are two shorter (2.24 Å) and one longer (2.27 Å) P–P bond lengths. In the second P+0.33- site, P+0.33- is bonded to two Au+0.50+ and two P+0.33- atoms to form corner-sharing PP2Au2 tetrahedra. The P–P bond length is 2.22 Å.

Publication Date:
Other Number(s):
mp-27258
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; P3Au2; Au-P
OSTI Identifier:
1201456
DOI:
https://doi.org/10.17188/1201456

Citation Formats

The Materials Project. Materials Data on P3Au2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201456.
The Materials Project. Materials Data on P3Au2 by Materials Project. United States. doi:https://doi.org/10.17188/1201456
The Materials Project. 2020. "Materials Data on P3Au2 by Materials Project". United States. doi:https://doi.org/10.17188/1201456. https://www.osti.gov/servlets/purl/1201456. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1201456,
title = {Materials Data on P3Au2 by Materials Project},
author = {The Materials Project},
abstractNote = {Au2P3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Au+0.50+ sites. In the first Au+0.50+ site, Au+0.50+ is bonded in a distorted linear geometry to four P+0.33- atoms. There are two shorter (2.37 Å) and two longer (3.08 Å) Au–P bond lengths. In the second Au+0.50+ site, Au+0.50+ is bonded in a linear geometry to two equivalent P+0.33- atoms. Both Au–P bond lengths are 2.37 Å. There are two inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 5-coordinate geometry to two equivalent Au+0.50+ and three P+0.33- atoms. There are two shorter (2.24 Å) and one longer (2.27 Å) P–P bond lengths. In the second P+0.33- site, P+0.33- is bonded to two Au+0.50+ and two P+0.33- atoms to form corner-sharing PP2Au2 tetrahedra. The P–P bond length is 2.22 Å.},
doi = {10.17188/1201456},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}