Materials Data on Ca3BiN by Materials Project
Abstract
BiNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Ca3Bi framework. In the Ca3Bi framework, Ca is bonded in a linear geometry to two equivalent Bi atoms. Both Ca–Bi bond lengths are 2.92 Å. Bi is bonded to six equivalent Ca atoms to form corner-sharing BiCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1013542
- 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; Ca3BiN; Bi-Ca-N
- OSTI Identifier:
- 1330021
- DOI:
- https://doi.org/10.17188/1330021
Citation Formats
The Materials Project. Materials Data on Ca3BiN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1330021.
The Materials Project. Materials Data on Ca3BiN by Materials Project. United States. doi:https://doi.org/10.17188/1330021
The Materials Project. 2020.
"Materials Data on Ca3BiN by Materials Project". United States. doi:https://doi.org/10.17188/1330021. https://www.osti.gov/servlets/purl/1330021. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1330021,
title = {Materials Data on Ca3BiN by Materials Project},
author = {The Materials Project},
abstractNote = {BiNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Ca3Bi framework. In the Ca3Bi framework, Ca is bonded in a linear geometry to two equivalent Bi atoms. Both Ca–Bi bond lengths are 2.92 Å. Bi is bonded to six equivalent Ca atoms to form corner-sharing BiCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1330021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}
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