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

Title: Materials Data on RbPS3 by Materials Project

Abstract

RbPS3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten S2- atoms. There are six shorter (3.65 Å) and four longer (3.83 Å) Rb–S bond lengths. P5+ is bonded to four S2- atoms to form edge-sharing PS4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.16 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Rb1+ and two equivalent P5+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one P5+ atom.

Publication Date:
Other Number(s):
mp-556953
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; RbPS3; P-Rb-S
OSTI Identifier:
1269624
DOI:
10.17188/1269624

Citation Formats

The Materials Project. Materials Data on RbPS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269624.
The Materials Project. Materials Data on RbPS3 by Materials Project. United States. doi:10.17188/1269624.
The Materials Project. 2020. "Materials Data on RbPS3 by Materials Project". United States. doi:10.17188/1269624. https://www.osti.gov/servlets/purl/1269624. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1269624,
title = {Materials Data on RbPS3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbPS3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten S2- atoms. There are six shorter (3.65 Å) and four longer (3.83 Å) Rb–S bond lengths. P5+ is bonded to four S2- atoms to form edge-sharing PS4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.16 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Rb1+ and two equivalent P5+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one P5+ atom.},
doi = {10.17188/1269624},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: