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Title: Materials Data on Ca(CuP)2 by Materials Project

Abstract

Ca(CuP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent P3- atoms to form CaP8 hexagonal bipyramids that share corners with sixteen equivalent CuP4 tetrahedra, edges with four equivalent CaP8 hexagonal bipyramids, edges with eight equivalent CuP4 tetrahedra, and faces with four equivalent CaP8 hexagonal bipyramids. All Ca–P bond lengths are 3.07 Å. Cu2+ is bonded to four equivalent P3- atoms to form CuP4 tetrahedra that share corners with eight equivalent CaP8 hexagonal bipyramids, corners with four equivalent CuP4 tetrahedra, edges with four equivalent CaP8 hexagonal bipyramids, and edges with four equivalent CuP4 tetrahedra. All Cu–P bond lengths are 2.39 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Cu2+, and one P3- atom. The P–P bond length is 2.31 Å.

Publication Date:
Other Number(s):
mp-7422
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; Ca(CuP)2; Ca-Cu-P
OSTI Identifier:
1287960
DOI:
10.17188/1287960

Citation Formats

The Materials Project. Materials Data on Ca(CuP)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287960.
The Materials Project. Materials Data on Ca(CuP)2 by Materials Project. United States. doi:10.17188/1287960.
The Materials Project. 2020. "Materials Data on Ca(CuP)2 by Materials Project". United States. doi:10.17188/1287960. https://www.osti.gov/servlets/purl/1287960. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1287960,
title = {Materials Data on Ca(CuP)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(CuP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent P3- atoms to form CaP8 hexagonal bipyramids that share corners with sixteen equivalent CuP4 tetrahedra, edges with four equivalent CaP8 hexagonal bipyramids, edges with eight equivalent CuP4 tetrahedra, and faces with four equivalent CaP8 hexagonal bipyramids. All Ca–P bond lengths are 3.07 Å. Cu2+ is bonded to four equivalent P3- atoms to form CuP4 tetrahedra that share corners with eight equivalent CaP8 hexagonal bipyramids, corners with four equivalent CuP4 tetrahedra, edges with four equivalent CaP8 hexagonal bipyramids, and edges with four equivalent CuP4 tetrahedra. All Cu–P bond lengths are 2.39 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Cu2+, and one P3- atom. The P–P bond length is 2.31 Å.},
doi = {10.17188/1287960},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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