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Title: Materials Data on Rb4PS3O16 by Materials Project

Abstract

Rb4PS3O16 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.33 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.39 Å. In the third Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.33 Å. P is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. All S–O bond lengths are 1.49 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. All S–O bond lengths are 1.49 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to threemore » Rb and one S atom. In the second O site, O is bonded in a single-bond geometry to two Rb and one S atom. In the third O site, O is bonded in a single-bond geometry to two Rb and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the sixth O site, O is bonded in a single-bond geometry to three Rb and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one S atom.« less

Publication Date:
Other Number(s):
mp-1203153
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; Rb4PS3O16; O-P-Rb-S
OSTI Identifier:
1757581
DOI:
https://doi.org/10.17188/1757581

Citation Formats

The Materials Project. Materials Data on Rb4PS3O16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757581.
The Materials Project. Materials Data on Rb4PS3O16 by Materials Project. United States. doi:https://doi.org/10.17188/1757581
The Materials Project. 2020. "Materials Data on Rb4PS3O16 by Materials Project". United States. doi:https://doi.org/10.17188/1757581. https://www.osti.gov/servlets/purl/1757581. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757581,
title = {Materials Data on Rb4PS3O16 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4PS3O16 crystallizes in the orthorhombic P2_12_12 space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.33 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.39 Å. In the third Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.33 Å. P is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. All S–O bond lengths are 1.49 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. All S–O bond lengths are 1.49 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the second O site, O is bonded in a single-bond geometry to two Rb and one S atom. In the third O site, O is bonded in a single-bond geometry to two Rb and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the sixth O site, O is bonded in a single-bond geometry to three Rb and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one S atom.},
doi = {10.17188/1757581},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}