Materials Data on Sr5As3H by Materials Project
Abstract
Sr5As3H crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to three equivalent As3- and two equivalent H1- atoms. There are two shorter (3.10 Å) and one longer (3.23 Å) Sr–As bond lengths. Both Sr–H bond lengths are 2.87 Å. In the second Sr2+ site, Sr2+ is bonded to six equivalent As3- atoms to form a mixture of edge, corner, and face-sharing SrAs6 octahedra. The corner-sharing octahedral tilt angles are 34°. All Sr–As bond lengths are 3.30 Å. As3- is bonded in a 7-coordinate geometry to seven Sr2+ atoms. H1- is bonded to six equivalent Sr2+ atoms to form face-sharing HSr6 octahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-24338
- 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; Sr5As3H; As-H-Sr
- OSTI Identifier:
- 1200039
- DOI:
- https://doi.org/10.17188/1200039
Citation Formats
The Materials Project. Materials Data on Sr5As3H by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1200039.
The Materials Project. Materials Data on Sr5As3H by Materials Project. United States. doi:https://doi.org/10.17188/1200039
The Materials Project. 2020.
"Materials Data on Sr5As3H by Materials Project". United States. doi:https://doi.org/10.17188/1200039. https://www.osti.gov/servlets/purl/1200039. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1200039,
title = {Materials Data on Sr5As3H by Materials Project},
author = {The Materials Project},
abstractNote = {Sr5As3H crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to three equivalent As3- and two equivalent H1- atoms. There are two shorter (3.10 Å) and one longer (3.23 Å) Sr–As bond lengths. Both Sr–H bond lengths are 2.87 Å. In the second Sr2+ site, Sr2+ is bonded to six equivalent As3- atoms to form a mixture of edge, corner, and face-sharing SrAs6 octahedra. The corner-sharing octahedral tilt angles are 34°. All Sr–As bond lengths are 3.30 Å. As3- is bonded in a 7-coordinate geometry to seven Sr2+ atoms. H1- is bonded to six equivalent Sr2+ atoms to form face-sharing HSr6 octahedra.},
doi = {10.17188/1200039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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