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Title: Materials Data on UBi4WO12 by Materials Project

Abstract

UWBi4O12 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.99 Å) and two longer (2.05 Å) U–O bond lengths. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.91 Å) and four longer (1.99 Å) W–O bond length. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.98 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (2.33 Å) and four longer (2.97 Å) Bi–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the third O2- site, O2- is bonded in a linearmore » geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U6+ and four equivalent Bi3+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one W6+ and four equivalent Bi3+ atoms.« less

Publication Date:
Other Number(s):
mp-1216293
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; UBi4WO12; Bi-O-U-W
OSTI Identifier:
1655597
DOI:
https://doi.org/10.17188/1655597

Citation Formats

The Materials Project. Materials Data on UBi4WO12 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655597.
The Materials Project. Materials Data on UBi4WO12 by Materials Project. United States. doi:https://doi.org/10.17188/1655597
The Materials Project. 2019. "Materials Data on UBi4WO12 by Materials Project". United States. doi:https://doi.org/10.17188/1655597. https://www.osti.gov/servlets/purl/1655597. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655597,
title = {Materials Data on UBi4WO12 by Materials Project},
author = {The Materials Project},
abstractNote = {UWBi4O12 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.99 Å) and two longer (2.05 Å) U–O bond lengths. W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.91 Å) and four longer (1.99 Å) W–O bond length. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.98 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (2.33 Å) and four longer (2.97 Å) Bi–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a linear geometry to two equivalent U6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U6+ and four equivalent Bi3+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one W6+ and four equivalent Bi3+ atoms.},
doi = {10.17188/1655597},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}