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

Title: Materials Data on RbSc(WO4)2 by Materials Project

Abstract

RbSc(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–2.98 Å. Sc3+ is bonded to six O2- atoms to form distorted ScO6 pentagonal pyramids that share corners with eight equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–63°. There are a spread of Sc–O bond distances ranging from 2.11–2.21 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent ScO6 pentagonal pyramids, and an edgeedge with one WO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of W–O bond distances ranging from 1.84–2.09 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Sc3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Sc3+, and two equivalent W6+more » atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Sc3+, and one W6+ atom.« less

Publication Date:
Other Number(s):
mp-1209239
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; RbSc(WO4)2; O-Rb-Sc-W
OSTI Identifier:
1729458
DOI:
https://doi.org/10.17188/1729458

Citation Formats

The Materials Project. Materials Data on RbSc(WO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729458.
The Materials Project. Materials Data on RbSc(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1729458
The Materials Project. 2020. "Materials Data on RbSc(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1729458. https://www.osti.gov/servlets/purl/1729458. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1729458,
title = {Materials Data on RbSc(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbSc(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–2.98 Å. Sc3+ is bonded to six O2- atoms to form distorted ScO6 pentagonal pyramids that share corners with eight equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 23–63°. There are a spread of Sc–O bond distances ranging from 2.11–2.21 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra, corners with four equivalent ScO6 pentagonal pyramids, and an edgeedge with one WO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of W–O bond distances ranging from 1.84–2.09 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Sc3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Sc3+, and two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Sc3+, and one W6+ atom.},
doi = {10.17188/1729458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}