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Title: Materials Data on Ca3BiP by Materials Project

Abstract

Ca3BiP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Bi and two equivalent P atoms. All Ca–Bi bond lengths are 3.84 Å. Both Ca–P bond lengths are 2.71 Å. Bi is bonded to twelve equivalent Ca atoms to form BiCa12 cuboctahedra that share corners with twelve equivalent BiCa12 cuboctahedra, faces with six equivalent BiCa12 cuboctahedra, and faces with eight equivalent PCa6 octahedra. P is bonded to six equivalent Ca atoms to form PCa6 octahedra that share corners with six equivalent PCa6 octahedra and faces with eight equivalent BiCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1013558
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; Ca3BiP; Bi-Ca-P
OSTI Identifier:
1330036
DOI:
10.17188/1330036

Citation Formats

The Materials Project. Materials Data on Ca3BiP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1330036.
The Materials Project. Materials Data on Ca3BiP by Materials Project. United States. doi:10.17188/1330036.
The Materials Project. 2020. "Materials Data on Ca3BiP by Materials Project". United States. doi:10.17188/1330036. https://www.osti.gov/servlets/purl/1330036. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1330036,
title = {Materials Data on Ca3BiP by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3BiP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Bi and two equivalent P atoms. All Ca–Bi bond lengths are 3.84 Å. Both Ca–P bond lengths are 2.71 Å. Bi is bonded to twelve equivalent Ca atoms to form BiCa12 cuboctahedra that share corners with twelve equivalent BiCa12 cuboctahedra, faces with six equivalent BiCa12 cuboctahedra, and faces with eight equivalent PCa6 octahedra. P is bonded to six equivalent Ca atoms to form PCa6 octahedra that share corners with six equivalent PCa6 octahedra and faces with eight equivalent BiCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1330036},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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