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Title: Materials Data on U7(Te12O35)2 by Materials Project

Abstract

U7(Te12O35)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded to eight O atoms to form distorted UO8 hexagonal bipyramids that share edges with two equivalent TeO5 square pyramids. There are a spread of U–O bond distances ranging from 1.83–2.51 Å. In the second U site, U is bonded to eight O atoms to form distorted UO8 hexagonal bipyramids that share edges with six equivalent TeO5 square pyramids. There are two shorter (1.83 Å) and six longer (2.46 Å) U–O bond lengths. In the third U site, U is bonded to eight O atoms to form distorted UO8 hexagonal bipyramids that share edges with four TeO5 square pyramids. There are a spread of U–O bond distances ranging from 1.83–2.48 Å. There are four inequivalent Te sites. In the first Te site, Te is bonded to five O atoms to form distorted TeO5 square pyramids that share corners with three TeO5 square pyramids and edges with two UO8 hexagonal bipyramids. There are a spread of Te–O bond distances ranging from 1.91–2.40 Å. In the second Te site, Te is bonded in a 5-coordinate geometry tomore » five O atoms. There are a spread of Te–O bond distances ranging from 1.91–2.66 Å. In the third Te site, Te is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Te–O bond distances ranging from 1.92–2.48 Å. In the fourth Te site, Te is bonded to five O atoms to form distorted TeO5 square pyramids that share corners with three TeO5 square pyramids and edges with two UO8 hexagonal bipyramids. There are a spread of Te–O bond distances ranging from 1.92–2.40 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one U and two Te atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one U and two Te atoms. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to one U and two Te atoms. In the sixth O site, O is bonded in a distorted trigonal planar geometry to one U and two Te atoms. In the seventh O site, O is bonded in a trigonal planar geometry to three equivalent Te atoms. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to three Te atoms. In the ninth O site, O is bonded in a distorted trigonal planar geometry to one U and two equivalent Te atoms. In the tenth O site, O is bonded in a single-bond geometry to one U atom. In the eleventh O site, O is bonded in a distorted trigonal planar geometry to one U and two Te atoms. In the twelfth O site, O is bonded in a distorted trigonal planar geometry to one U and two Te atoms. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to two equivalent Te atoms.« less

Publication Date:
Other Number(s):
mp-530749
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; U7(Te12O35)2; O-Te-U
OSTI Identifier:
1263261
DOI:
https://doi.org/10.17188/1263261

Citation Formats

The Materials Project. Materials Data on U7(Te12O35)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263261.
The Materials Project. Materials Data on U7(Te12O35)2 by Materials Project. United States. doi:https://doi.org/10.17188/1263261
The Materials Project. 2020. "Materials Data on U7(Te12O35)2 by Materials Project". United States. doi:https://doi.org/10.17188/1263261. https://www.osti.gov/servlets/purl/1263261. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1263261,
title = {Materials Data on U7(Te12O35)2 by Materials Project},
author = {The Materials Project},
abstractNote = {U7(Te12O35)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded to eight O atoms to form distorted UO8 hexagonal bipyramids that share edges with two equivalent TeO5 square pyramids. There are a spread of U–O bond distances ranging from 1.83–2.51 Å. In the second U site, U is bonded to eight O atoms to form distorted UO8 hexagonal bipyramids that share edges with six equivalent TeO5 square pyramids. There are two shorter (1.83 Å) and six longer (2.46 Å) U–O bond lengths. In the third U site, U is bonded to eight O atoms to form distorted UO8 hexagonal bipyramids that share edges with four TeO5 square pyramids. There are a spread of U–O bond distances ranging from 1.83–2.48 Å. There are four inequivalent Te sites. In the first Te site, Te is bonded to five O atoms to form distorted TeO5 square pyramids that share corners with three TeO5 square pyramids and edges with two UO8 hexagonal bipyramids. There are a spread of Te–O bond distances ranging from 1.91–2.40 Å. In the second Te site, Te is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Te–O bond distances ranging from 1.91–2.66 Å. In the third Te site, Te is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Te–O bond distances ranging from 1.92–2.48 Å. In the fourth Te site, Te is bonded to five O atoms to form distorted TeO5 square pyramids that share corners with three TeO5 square pyramids and edges with two UO8 hexagonal bipyramids. There are a spread of Te–O bond distances ranging from 1.92–2.40 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one U and two Te atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one U and two Te atoms. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to one U and two Te atoms. In the sixth O site, O is bonded in a distorted trigonal planar geometry to one U and two Te atoms. In the seventh O site, O is bonded in a trigonal planar geometry to three equivalent Te atoms. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to three Te atoms. In the ninth O site, O is bonded in a distorted trigonal planar geometry to one U and two equivalent Te atoms. In the tenth O site, O is bonded in a single-bond geometry to one U atom. In the eleventh O site, O is bonded in a distorted trigonal planar geometry to one U and two Te atoms. In the twelfth O site, O is bonded in a distorted trigonal planar geometry to one U and two Te atoms. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to two equivalent Te atoms.},
doi = {10.17188/1263261},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}