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Title: Materials Data on Ca3SbP by Materials Project

Abstract

Ca3SbP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent P3- atoms. All Ca–Sb bond lengths are 3.81 Å. Both Ca–P bond lengths are 2.69 Å. Sb3- is bonded to twelve equivalent Ca2+ atoms to form SbCa12 cuboctahedra that share corners with twelve equivalent SbCa12 cuboctahedra, faces with six equivalent SbCa12 cuboctahedra, and faces with eight equivalent PCa6 octahedra. P3- is bonded to six equivalent Ca2+ atoms to form PCa6 octahedra that share corners with six equivalent PCa6 octahedra and faces with eight equivalent SbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1013550
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; Ca3SbP; Ca-P-Sb
OSTI Identifier:
1330029
DOI:
https://doi.org/10.17188/1330029

Citation Formats

The Materials Project. Materials Data on Ca3SbP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1330029.
The Materials Project. Materials Data on Ca3SbP by Materials Project. United States. doi:https://doi.org/10.17188/1330029
The Materials Project. 2020. "Materials Data on Ca3SbP by Materials Project". United States. doi:https://doi.org/10.17188/1330029. https://www.osti.gov/servlets/purl/1330029. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1330029,
title = {Materials Data on Ca3SbP by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3SbP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent P3- atoms. All Ca–Sb bond lengths are 3.81 Å. Both Ca–P bond lengths are 2.69 Å. Sb3- is bonded to twelve equivalent Ca2+ atoms to form SbCa12 cuboctahedra that share corners with twelve equivalent SbCa12 cuboctahedra, faces with six equivalent SbCa12 cuboctahedra, and faces with eight equivalent PCa6 octahedra. P3- is bonded to six equivalent Ca2+ atoms to form PCa6 octahedra that share corners with six equivalent PCa6 octahedra and faces with eight equivalent SbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1330029},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}