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Title: Materials Data on Rb3Sb5O14 by Materials Project

Abstract

Rb3Sb5O14 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.67–3.27 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.63–3.28 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.20 Å. There are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 34–52°. There are a spread of Sb–O bond distances ranging from 1.94–2.10 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Sb–O bond distances ranging from 1.95–2.21 Å. In the third Sb5+ site, Sb5+ is bondedmore » to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of Sb–O bond distances ranging from 1.98–2.06 Å. In the fourth Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–59°. There are a spread of Sb–O bond distances ranging from 1.96–2.12 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to three Rb1+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three Sb5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Rb1+ and two equivalent Sb5+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Sb5+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+ and two Sb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Sb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Rb1+ and two Sb5+ atoms. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two equivalent Sb5+ atoms.« less

Publication Date:
Other Number(s):
mp-556234
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; Rb3Sb5O14; O-Rb-Sb
OSTI Identifier:
1269242
DOI:
10.17188/1269242

Citation Formats

The Materials Project. Materials Data on Rb3Sb5O14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269242.
The Materials Project. Materials Data on Rb3Sb5O14 by Materials Project. United States. doi:10.17188/1269242.
The Materials Project. 2020. "Materials Data on Rb3Sb5O14 by Materials Project". United States. doi:10.17188/1269242. https://www.osti.gov/servlets/purl/1269242. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1269242,
title = {Materials Data on Rb3Sb5O14 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3Sb5O14 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.67–3.27 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.63–3.28 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.20 Å. There are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 34–52°. There are a spread of Sb–O bond distances ranging from 1.94–2.10 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are a spread of Sb–O bond distances ranging from 1.95–2.21 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–52°. There are a spread of Sb–O bond distances ranging from 1.98–2.06 Å. In the fourth Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–59°. There are a spread of Sb–O bond distances ranging from 1.96–2.12 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to three Rb1+ and two Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three Sb5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Rb1+ and two equivalent Sb5+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Sb5+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+ and two Sb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Sb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Rb1+ and two Sb5+ atoms. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two equivalent Sb5+ atoms.},
doi = {10.17188/1269242},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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