DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cs2Si(HO2)2 by Materials Project

Abstract

Cs2Si(HO2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two H1+ and seven O2- atoms. There are one shorter (3.11 Å) and one longer (3.21 Å) Cs–H bond lengths. There are a spread of Cs–O bond distances ranging from 3.15–3.52 Å. In the second Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.17 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.62 Å) and two longer (1.72 Å) Si–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 1.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to three Cs1+, one Si4+, and onemore » H1+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to three Cs1+, one Si4+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-995230
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs2Si(HO2)2; Cs-H-O-Si
OSTI Identifier:
1317044
DOI:
https://doi.org/10.17188/1317044

Citation Formats

The Materials Project. Materials Data on Cs2Si(HO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317044.
The Materials Project. Materials Data on Cs2Si(HO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1317044
The Materials Project. 2020. "Materials Data on Cs2Si(HO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1317044. https://www.osti.gov/servlets/purl/1317044. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1317044,
title = {Materials Data on Cs2Si(HO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Si(HO2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two H1+ and seven O2- atoms. There are one shorter (3.11 Å) and one longer (3.21 Å) Cs–H bond lengths. There are a spread of Cs–O bond distances ranging from 3.15–3.52 Å. In the second Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.17 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.62 Å) and two longer (1.72 Å) Si–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 1.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to three Cs1+, one Si4+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to three Cs1+, one Si4+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one Si4+ atom.},
doi = {10.17188/1317044},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}