Materials Data on Ca2As by Materials Project
Abstract
Ca2As crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent As atoms. All Ca–As bond lengths are 3.13 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (2.96 Å) and four longer (3.31 Å) Ca–As bond lengths. As is bonded in a 9-coordinate geometry to nine Ca atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-10106
- 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; Ca2As; As-Ca
- OSTI Identifier:
- 1186092
- DOI:
- https://doi.org/10.17188/1186092
Citation Formats
The Materials Project. Materials Data on Ca2As by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1186092.
The Materials Project. Materials Data on Ca2As by Materials Project. United States. doi:https://doi.org/10.17188/1186092
The Materials Project. 2020.
"Materials Data on Ca2As by Materials Project". United States. doi:https://doi.org/10.17188/1186092. https://www.osti.gov/servlets/purl/1186092. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1186092,
title = {Materials Data on Ca2As by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2As crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent As atoms. All Ca–As bond lengths are 3.13 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (2.96 Å) and four longer (3.31 Å) Ca–As bond lengths. As is bonded in a 9-coordinate geometry to nine Ca atoms.},
doi = {10.17188/1186092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}
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