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Title: Materials Data on Ca(Cu2P)2 by Materials Project

Abstract

CaCu4P2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent P3- atoms to form a mixture of edge and corner-sharing CaP6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.89 Å) and four longer (2.95 Å) Ca–P bond lengths. Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent P3- atoms. There are one shorter (2.37 Å) and two longer (2.41 Å) Cu–P bond lengths. P3- is bonded in a 9-coordinate geometry to three equivalent Ca2+ and six equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-22295
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; Ca(Cu2P)2; Ca-Cu-P
OSTI Identifier:
1197530
DOI:
https://doi.org/10.17188/1197530

Citation Formats

The Materials Project. Materials Data on Ca(Cu2P)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197530.
The Materials Project. Materials Data on Ca(Cu2P)2 by Materials Project. United States. doi:https://doi.org/10.17188/1197530
The Materials Project. 2020. "Materials Data on Ca(Cu2P)2 by Materials Project". United States. doi:https://doi.org/10.17188/1197530. https://www.osti.gov/servlets/purl/1197530. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1197530,
title = {Materials Data on Ca(Cu2P)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaCu4P2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent P3- atoms to form a mixture of edge and corner-sharing CaP6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.89 Å) and four longer (2.95 Å) Ca–P bond lengths. Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent P3- atoms. There are one shorter (2.37 Å) and two longer (2.41 Å) Cu–P bond lengths. P3- is bonded in a 9-coordinate geometry to three equivalent Ca2+ and six equivalent Cu1+ atoms.},
doi = {10.17188/1197530},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}