Materials Data on Ba(Cu2P)4 by Materials Project
Abstract
Ba(Cu2P)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Ba–P bond lengths are 3.42 Å. There are two inequivalent Cu+1.25+ sites. In the first Cu+1.25+ site, Cu+1.25+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. There are a spread of Cu–P bond distances ranging from 2.27–2.60 Å. In the second Cu+1.25+ site, Cu+1.25+ is bonded in a distorted trigonal planar geometry to three equivalent P3- atoms. There are one shorter (2.32 Å) and two longer (2.36 Å) Cu–P bond lengths. P3- is bonded in a 9-coordinate geometry to two equivalent Ba2+ and seven Cu+1.25+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-14785
- 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; Ba(Cu2P)4; Ba-Cu-P
- OSTI Identifier:
- 1190890
- DOI:
- https://doi.org/10.17188/1190890
Citation Formats
The Materials Project. Materials Data on Ba(Cu2P)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190890.
The Materials Project. Materials Data on Ba(Cu2P)4 by Materials Project. United States. doi:https://doi.org/10.17188/1190890
The Materials Project. 2020.
"Materials Data on Ba(Cu2P)4 by Materials Project". United States. doi:https://doi.org/10.17188/1190890. https://www.osti.gov/servlets/purl/1190890. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1190890,
title = {Materials Data on Ba(Cu2P)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(Cu2P)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Ba–P bond lengths are 3.42 Å. There are two inequivalent Cu+1.25+ sites. In the first Cu+1.25+ site, Cu+1.25+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. There are a spread of Cu–P bond distances ranging from 2.27–2.60 Å. In the second Cu+1.25+ site, Cu+1.25+ is bonded in a distorted trigonal planar geometry to three equivalent P3- atoms. There are one shorter (2.32 Å) and two longer (2.36 Å) Cu–P bond lengths. P3- is bonded in a 9-coordinate geometry to two equivalent Ba2+ and seven Cu+1.25+ atoms.},
doi = {10.17188/1190890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}
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