U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbSrSiHO4 by Materials Project
Abstract
RbSrSiHO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 1-coordinate geometry to two equivalent H1+ and eight O2- atoms. There are one shorter (2.68 Å) and one longer (2.74 Å) Rb–H bond lengths. There are a spread of Rb–O bond distances ranging from 2.75–3.41 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 2.48–2.74 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 36–52°. There are a spread of Si–O bond distances ranging from 1.64–1.73 Å. H1+ is bonded in a distorted single-bond geometry to two equivalent Rb1+ and two O2- atoms. There is one shorter (1.03 Å) and one longer (1.65 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Sr2+, and one Si4+ atom. In the second O2- site, O2- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-995216
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; H-O-Rb-Si-Sr; RbSrSiHO4; crystal structure
- OSTI Identifier:
- 1317034
- DOI:
- https://doi.org/10.17188/1317034
Citation Formats
Materials Data on RbSrSiHO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317034.
Materials Data on RbSrSiHO4 by Materials Project. United States. doi:https://doi.org/10.17188/1317034
2020.
"Materials Data on RbSrSiHO4 by Materials Project". United States. doi:https://doi.org/10.17188/1317034. https://www.osti.gov/servlets/purl/1317034. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1317034,
title = {Materials Data on RbSrSiHO4 by Materials Project},
abstractNote = {RbSrSiHO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 1-coordinate geometry to two equivalent H1+ and eight O2- atoms. There are one shorter (2.68 Å) and one longer (2.74 Å) Rb–H bond lengths. There are a spread of Rb–O bond distances ranging from 2.75–3.41 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 2.48–2.74 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 36–52°. There are a spread of Si–O bond distances ranging from 1.64–1.73 Å. H1+ is bonded in a distorted single-bond geometry to two equivalent Rb1+ and two O2- atoms. There is one shorter (1.03 Å) and one longer (1.65 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, two equivalent Sr2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, two equivalent Sr2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Sr2+, one Si4+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Sr2+, one Si4+, and one H1+ atom.},
doi = {10.17188/1317034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}