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Title: Materials Data on Rb2UMo2O11 by Materials Project

Abstract

Rb2UMo2O11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.44 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.51 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with four MoO4 tetrahedra and an edgeedge with one MoO5 tetrahedra. There are a spread of U–O bond distances ranging from 1.83–2.42 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded to five O atoms to form distorted MoO5 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids, an edgeedge with one UO7 pentagonal bipyramid, and an edgeedge with one MoO5 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.74–2.51 Å. In the second Mo site, Mo is bonded to four O atoms to form MoO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spreadmore » of Mo–O bond distances ranging from 1.77–1.84 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Rb and one Mo atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Rb, one U, and one Mo atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one U and one Mo atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to two Rb atoms. In the sixth O site, O is bonded in a 4-coordinate geometry to one Rb, one U, and two equivalent Mo atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two Rb and one U atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Rb, one U, and one Mo atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two Rb and one U atom. In the eleventh O site, O is bonded in a 3-coordinate geometry to one Rb, one U, and one Mo atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1198786
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; Rb2UMo2O11; Mo-O-Rb-U
OSTI Identifier:
1708148
DOI:
https://doi.org/10.17188/1708148

Citation Formats

The Materials Project. Materials Data on Rb2UMo2O11 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1708148.
The Materials Project. Materials Data on Rb2UMo2O11 by Materials Project. United States. doi:https://doi.org/10.17188/1708148
The Materials Project. 2019. "Materials Data on Rb2UMo2O11 by Materials Project". United States. doi:https://doi.org/10.17188/1708148. https://www.osti.gov/servlets/purl/1708148. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1708148,
title = {Materials Data on Rb2UMo2O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2UMo2O11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.44 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.51 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with four MoO4 tetrahedra and an edgeedge with one MoO5 tetrahedra. There are a spread of U–O bond distances ranging from 1.83–2.42 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded to five O atoms to form distorted MoO5 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids, an edgeedge with one UO7 pentagonal bipyramid, and an edgeedge with one MoO5 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.74–2.51 Å. In the second Mo site, Mo is bonded to four O atoms to form MoO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Mo–O bond distances ranging from 1.77–1.84 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Rb and one Mo atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Rb, one U, and one Mo atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one U and one Mo atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to two Rb atoms. In the sixth O site, O is bonded in a 4-coordinate geometry to one Rb, one U, and two equivalent Mo atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two Rb and one U atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Rb, one U, and one Mo atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two Rb and one U atom. In the eleventh O site, O is bonded in a 3-coordinate geometry to one Rb, one U, and one Mo atom.},
doi = {10.17188/1708148},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}