Materials Data on CsMgAs(H3O2)2 by Materials Project
Abstract
CsMgAs(H3O2)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent H1+ and four equivalent O2- atoms to form distorted CsH6O4 tetrahedra that share corners with six equivalent MgH6 octahedra and corners with four equivalent AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–H bond lengths are 3.13 Å. All Cs–O bond lengths are 2.74 Å. Mg2+ is bonded to six equivalent H1+ atoms to form MgH6 octahedra that share corners with six equivalent CsH6O4 tetrahedra. All Mg–H bond lengths are 2.02 Å. As1- is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share corners with four equivalent CsH6O4 tetrahedra. All As–O bond lengths are 1.72 Å. H1+ is bonded in a single-bond geometry to one Cs1+ and one Mg2+ atom. O2- is bonded in a distorted linear geometry to one Cs1+ and one As1- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213043
- 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; CsMgAs(H3O2)2; As-Cs-H-Mg-O
- OSTI Identifier:
- 1745950
- DOI:
- https://doi.org/10.17188/1745950
Citation Formats
The Materials Project. Materials Data on CsMgAs(H3O2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1745950.
The Materials Project. Materials Data on CsMgAs(H3O2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1745950
The Materials Project. 2020.
"Materials Data on CsMgAs(H3O2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1745950. https://www.osti.gov/servlets/purl/1745950. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1745950,
title = {Materials Data on CsMgAs(H3O2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsMgAs(H3O2)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent H1+ and four equivalent O2- atoms to form distorted CsH6O4 tetrahedra that share corners with six equivalent MgH6 octahedra and corners with four equivalent AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–H bond lengths are 3.13 Å. All Cs–O bond lengths are 2.74 Å. Mg2+ is bonded to six equivalent H1+ atoms to form MgH6 octahedra that share corners with six equivalent CsH6O4 tetrahedra. All Mg–H bond lengths are 2.02 Å. As1- is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share corners with four equivalent CsH6O4 tetrahedra. All As–O bond lengths are 1.72 Å. H1+ is bonded in a single-bond geometry to one Cs1+ and one Mg2+ atom. O2- is bonded in a distorted linear geometry to one Cs1+ and one As1- atom.},
doi = {10.17188/1745950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}