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Title: Materials Data on RbWO7 by Materials Project

Abstract

RbWO7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 1-coordinate geometry to eleven O atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.54 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.72–3.27 Å. There are two inequivalent W sites. In the first W site, W is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of W–O bond distances ranging from 1.81–2.25 Å. In the second W site, W is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of W–O bond distances ranging from 1.76–2.46 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Rb, one W, and one O atom. The O–O bond length is 1.48 Å. In the second O site, O is bonded in a 3-coordinate geometry to one Rb, one W, and one O atom. The O–O bond length is 1.35 Å.more » In the third O site, O is bonded in a bent 150 degrees geometry to one Rb and two W atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to one Rb, one W, and one O atom. The O–O bond length is 1.45 Å. In the fifth O site, O is bonded in a distorted trigonal planar geometry to one Rb, one W, and one O atom. The O–O bond length is 1.34 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one W atom. In the seventh O site, O is bonded in a 4-coordinate geometry to two Rb, one W, and one O atom. The O–O bond length is 1.28 Å. In the eighth O site, O is bonded in a distorted T-shaped geometry to one Rb, one W, and one O atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one W atom. In the tenth O site, O is bonded in a 3-coordinate geometry to one Rb, one W, and one O atom. In the eleventh O site, O is bonded in a 1-coordinate geometry to one Rb, one W, and one O atom. In the twelfth O site, O is bonded in a 1-coordinate geometry to two Rb and one W atom. In the thirteenth O site, O is bonded in a 1-coordinate geometry to two Rb and one O atom. In the fourteenth O site, O is bonded in a 1-coordinate geometry to one Rb, one W, and one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1209741
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; RbWO7; O-Rb-W
OSTI Identifier:
1662782
DOI:
https://doi.org/10.17188/1662782

Citation Formats

The Materials Project. Materials Data on RbWO7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1662782.
The Materials Project. Materials Data on RbWO7 by Materials Project. United States. doi:https://doi.org/10.17188/1662782
The Materials Project. 2019. "Materials Data on RbWO7 by Materials Project". United States. doi:https://doi.org/10.17188/1662782. https://www.osti.gov/servlets/purl/1662782. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1662782,
title = {Materials Data on RbWO7 by Materials Project},
author = {The Materials Project},
abstractNote = {RbWO7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 1-coordinate geometry to eleven O atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.54 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.72–3.27 Å. There are two inequivalent W sites. In the first W site, W is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of W–O bond distances ranging from 1.81–2.25 Å. In the second W site, W is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of W–O bond distances ranging from 1.76–2.46 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Rb, one W, and one O atom. The O–O bond length is 1.48 Å. In the second O site, O is bonded in a 3-coordinate geometry to one Rb, one W, and one O atom. The O–O bond length is 1.35 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Rb and two W atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to one Rb, one W, and one O atom. The O–O bond length is 1.45 Å. In the fifth O site, O is bonded in a distorted trigonal planar geometry to one Rb, one W, and one O atom. The O–O bond length is 1.34 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one W atom. In the seventh O site, O is bonded in a 4-coordinate geometry to two Rb, one W, and one O atom. The O–O bond length is 1.28 Å. In the eighth O site, O is bonded in a distorted T-shaped geometry to one Rb, one W, and one O atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one W atom. In the tenth O site, O is bonded in a 3-coordinate geometry to one Rb, one W, and one O atom. In the eleventh O site, O is bonded in a 1-coordinate geometry to one Rb, one W, and one O atom. In the twelfth O site, O is bonded in a 1-coordinate geometry to two Rb and one W atom. In the thirteenth O site, O is bonded in a 1-coordinate geometry to two Rb and one O atom. In the fourteenth O site, O is bonded in a 1-coordinate geometry to one Rb, one W, and one O atom.},
doi = {10.17188/1662782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}