U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsSrSiHO4 by Materials Project
Abstract
CsSrSiHO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to two equivalent H1+ and eight O2- atoms. There are one shorter (2.80 Å) and one longer (2.85 Å) Cs–H bond lengths. There are a spread of Cs–O bond distances ranging from 2.88–3.39 Å. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with two equivalent SrO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.49–2.88 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent SrO6 octahedra. The corner-sharing octahedra tilt angles range from 33–52°. There are a spread of Si–O bond distances ranging from 1.64–1.74 Å. H1+ is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one O2- atom. The H–O bond length is 1.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+, two equivalent Sr2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, twomore »
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1317033
- Report Number(s):
- mp-995215
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; CsSrSiHO4; Cs-H-O-Si-Sr
Citation Formats
The Materials Project. Materials Data on CsSrSiHO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317033.
The Materials Project. Materials Data on CsSrSiHO4 by Materials Project. United States. https://doi.org/10.17188/1317033
The Materials Project. 2020.
"Materials Data on CsSrSiHO4 by Materials Project". United States. https://doi.org/10.17188/1317033. https://www.osti.gov/servlets/purl/1317033.
@article{osti_1317033,
title = {Materials Data on CsSrSiHO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSrSiHO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to two equivalent H1+ and eight O2- atoms. There are one shorter (2.80 Å) and one longer (2.85 Å) Cs–H bond lengths. There are a spread of Cs–O bond distances ranging from 2.88–3.39 Å. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with two equivalent SrO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.49–2.88 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent SrO6 octahedra. The corner-sharing octahedra tilt angles range from 33–52°. There are a spread of Si–O bond distances ranging from 1.64–1.74 Å. H1+ is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one O2- atom. The H–O bond length is 1.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+, two equivalent Sr2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, two equivalent Sr2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, one Sr2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Sr2+, one Si4+, and one H1+ atom.},
doi = {10.17188/1317033},
url = {https://www.osti.gov/biblio/1317033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}