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Title: Materials Data on Rb2U2WO10 by Materials Project

Abstract

Rb2U2WO10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.31 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.26 Å. In the third Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.29 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.34 Å. There are four inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO7 pentagonal bipyramid, a cornercorner with one WO5 trigonal bipyramid, edges with three UO7 pentagonal bipyramids, and an edgeedge with one WO5 trigonal bipyramid. There are a spread of U–O bond distances ranging from 1.86–2.46 Å. In the second U6+more » site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two UO7 pentagonal bipyramids, corners with two equivalent WO5 trigonal bipyramids, an edgeedge with one UO7 pentagonal bipyramid, and an edgeedge with one WO5 trigonal bipyramid. There are a spread of U–O bond distances ranging from 1.84–2.55 Å. In the third U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO7 pentagonal bipyramid, a cornercorner with one WO5 trigonal bipyramid, edges with three UO7 pentagonal bipyramids, and an edgeedge with one WO5 trigonal bipyramid. There are a spread of U–O bond distances ranging from 1.85–2.57 Å. In the fourth U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two UO7 pentagonal bipyramids, corners with two WO5 trigonal bipyramids, edges with two UO7 pentagonal bipyramids, and an edgeedge with one WO5 trigonal bipyramid. There are a spread of U–O bond distances ranging from 1.84–2.53 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to five O2- atoms to form WO5 trigonal bipyramids that share corners with four UO7 pentagonal bipyramids and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of W–O bond distances ranging from 1.79–1.99 Å. In the second W6+ site, W6+ is bonded to five O2- atoms to form distorted WO5 trigonal bipyramids that share corners with two UO7 pentagonal bipyramids and edges with three UO7 pentagonal bipyramids. There are a spread of W–O bond distances ranging from 1.77–1.95 Å. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one W6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Rb1+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Rb1+, two U6+, and one W6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one U6+, and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two U6+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, two U6+, and one W6+ atom. In the eleventh O2- site, O2- is bonded in a trigonal planar geometry to three U6+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one U6+, and one W6+ atom. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the fifteenth O2- site, O2- is bonded in a 3-coordinate geometry to two U6+ and one W6+ atom. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one W6+ atom. In the nineteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and three U6+ atoms. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to two U6+ and one W6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-704467
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; Rb2U2WO10; O-Rb-U-W
OSTI Identifier:
1285725
DOI:
https://doi.org/10.17188/1285725

Citation Formats

The Materials Project. Materials Data on Rb2U2WO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285725.
The Materials Project. Materials Data on Rb2U2WO10 by Materials Project. United States. doi:https://doi.org/10.17188/1285725
The Materials Project. 2020. "Materials Data on Rb2U2WO10 by Materials Project". United States. doi:https://doi.org/10.17188/1285725. https://www.osti.gov/servlets/purl/1285725. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1285725,
title = {Materials Data on Rb2U2WO10 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2U2WO10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.31 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.26 Å. In the third Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.29 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.34 Å. There are four inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO7 pentagonal bipyramid, a cornercorner with one WO5 trigonal bipyramid, edges with three UO7 pentagonal bipyramids, and an edgeedge with one WO5 trigonal bipyramid. There are a spread of U–O bond distances ranging from 1.86–2.46 Å. In the second U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two UO7 pentagonal bipyramids, corners with two equivalent WO5 trigonal bipyramids, an edgeedge with one UO7 pentagonal bipyramid, and an edgeedge with one WO5 trigonal bipyramid. There are a spread of U–O bond distances ranging from 1.84–2.55 Å. In the third U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO7 pentagonal bipyramid, a cornercorner with one WO5 trigonal bipyramid, edges with three UO7 pentagonal bipyramids, and an edgeedge with one WO5 trigonal bipyramid. There are a spread of U–O bond distances ranging from 1.85–2.57 Å. In the fourth U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two UO7 pentagonal bipyramids, corners with two WO5 trigonal bipyramids, edges with two UO7 pentagonal bipyramids, and an edgeedge with one WO5 trigonal bipyramid. There are a spread of U–O bond distances ranging from 1.84–2.53 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to five O2- atoms to form WO5 trigonal bipyramids that share corners with four UO7 pentagonal bipyramids and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of W–O bond distances ranging from 1.79–1.99 Å. In the second W6+ site, W6+ is bonded to five O2- atoms to form distorted WO5 trigonal bipyramids that share corners with two UO7 pentagonal bipyramids and edges with three UO7 pentagonal bipyramids. There are a spread of W–O bond distances ranging from 1.77–1.95 Å. There are twenty inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one W6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Rb1+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Rb1+, two U6+, and one W6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one U6+, and one W6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two U6+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, two U6+, and one W6+ atom. In the eleventh O2- site, O2- is bonded in a trigonal planar geometry to three U6+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one U6+, and one W6+ atom. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the fifteenth O2- site, O2- is bonded in a 3-coordinate geometry to two U6+ and one W6+ atom. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one U6+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one U6+ atom. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one W6+ atom. In the nineteenth O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and three U6+ atoms. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to two U6+ and one W6+ atom.},
doi = {10.17188/1285725},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}