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Title: Materials Data on Lu2Sb2O7 by Materials Project

Abstract

Lu2Sb2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are seven inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.29–2.87 Å. In the second Lu3+ site, Lu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.14 Å) and four longer (2.33 Å) Lu–O bond lengths. In the third Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.14–2.66 Å. In the fourth Lu3+ site, Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.29–2.86 Å. In the fifth Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.14–2.66 Å. In the sixth Lu3+ site, Lu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.14 Å) and four longer (2.33 Å) Lu–O bond lengths. In the seventh Lu3+ site, Lu3+more » is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.14–2.65 Å. There are seven inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded to six O2- atoms to form distorted corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. There are a spread of Sb–O bond distances ranging from 2.29–2.40 Å. In the second Sb4+ site, Sb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sb–O bond distances ranging from 2.09–2.70 Å. In the third Sb4+ site, Sb4+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 37–63°. There are a spread of Sb–O bond distances ranging from 1.97–2.04 Å. In the fourth Sb4+ site, Sb4+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 37–64°. There are a spread of Sb–O bond distances ranging from 1.97–2.04 Å. In the fifth Sb4+ site, Sb4+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 37–64°. There are a spread of Sb–O bond distances ranging from 1.97–2.04 Å. In the sixth Sb4+ site, Sb4+ is bonded to six O2- atoms to form distorted corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Sb–O bond distances ranging from 2.29–2.38 Å. In the seventh Sb4+ site, Sb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sb–O bond distances ranging from 2.09–2.70 Å. There are twenty-one inequivalent O2- sites. In the first O2- site, O2- is bonded to three Lu3+ and one Sb4+ atom to form distorted OLu3Sb tetrahedra that share corners with six OLu2Sb2 tetrahedra and edges with four OLu3Sb tetrahedra. In the second O2- site, O2- is bonded to two Lu3+ and two Sb4+ atoms to form a mixture of distorted edge and corner-sharing OLu2Sb2 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Lu3+ and two Sb4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Sb4+ atoms. In the fifth O2- site, O2- is bonded to three Lu3+ and one Sb4+ atom to form a mixture of edge and corner-sharing OLu3Sb tetrahedra. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Lu3+ and two Sb4+ atoms. In the seventh O2- site, O2- is bonded to three Lu3+ and one Sb4+ atom to form a mixture of edge and corner-sharing OLu3Sb tetrahedra. In the eighth O2- site, O2- is bonded to two Lu3+ and two Sb4+ atoms to form a mixture of distorted edge and corner-sharing OLu2Sb2 tetrahedra. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Sb4+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Lu3+ and two Sb4+ atoms. In the eleventh O2- site, O2- is bonded to two Lu3+ and two Sb4+ atoms to form a mixture of distorted edge and corner-sharing OLu2Sb2 tetrahedra. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to two Lu3+ and two Sb4+ atoms. In the thirteenth O2- site, O2- is bonded to three Lu3+ and one Sb4+ atom to form a mixture of distorted edge and corner-sharing OLu3Sb tetrahedra. In the fourteenth O2- site, O2- is bonded to two Lu3+ and two Sb4+ atoms to form a mixture of distorted edge and corner-sharing OLu2Sb2 tetrahedra. In the fifteenth O2- site, O2- is bonded to two Lu3+ and two Sb4+ atoms to form distorted OLu2Sb2 tetrahedra that share corners with ten OLu3Sb tetrahedra and edges with three OLu2Sb2 tetrahedra. In the sixteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Lu3+ and two Sb4+ atoms. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and two Sb4+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Sb4+ atoms. In the nineteenth O2- site, O2- is bonded to two Lu3+ and two Sb4+ atoms to form a mixture of distorted edge and corner-sharing OLu2Sb2 tetrahedra. In the twentieth O2- site, O2- is bonded to three Lu3+ and one Sb4+ atom to form a mixture of edge and corner-sharing OLu3Sb tetrahedra. In the twenty-first O2- site, O2- is bonded to three Lu3+ and one Sb4+ atom to form a mixture of distorted edge and corner-sharing OLu3Sb tetrahedra.« less

Publication Date:
Other Number(s):
mp-772486
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; Lu2Sb2O7; Lu-O-Sb
OSTI Identifier:
1301311
DOI:
10.17188/1301311

Citation Formats

The Materials Project. Materials Data on Lu2Sb2O7 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1301311.
The Materials Project. Materials Data on Lu2Sb2O7 by Materials Project. United States. doi:10.17188/1301311.
The Materials Project. 2017. "Materials Data on Lu2Sb2O7 by Materials Project". United States. doi:10.17188/1301311. https://www.osti.gov/servlets/purl/1301311. Pub date:Mon Jul 24 00:00:00 EDT 2017
@article{osti_1301311,
title = {Materials Data on Lu2Sb2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2Sb2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are seven inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.29–2.87 Å. In the second Lu3+ site, Lu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.14 Å) and four longer (2.33 Å) Lu–O bond lengths. In the third Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.14–2.66 Å. In the fourth Lu3+ site, Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.29–2.86 Å. In the fifth Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.14–2.66 Å. In the sixth Lu3+ site, Lu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.14 Å) and four longer (2.33 Å) Lu–O bond lengths. In the seventh Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.14–2.65 Å. There are seven inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded to six O2- atoms to form distorted corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. There are a spread of Sb–O bond distances ranging from 2.29–2.40 Å. In the second Sb4+ site, Sb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sb–O bond distances ranging from 2.09–2.70 Å. In the third Sb4+ site, Sb4+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 37–63°. There are a spread of Sb–O bond distances ranging from 1.97–2.04 Å. In the fourth Sb4+ site, Sb4+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 37–64°. There are a spread of Sb–O bond distances ranging from 1.97–2.04 Å. In the fifth Sb4+ site, Sb4+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 37–64°. There are a spread of Sb–O bond distances ranging from 1.97–2.04 Å. In the sixth Sb4+ site, Sb4+ is bonded to six O2- atoms to form distorted corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are a spread of Sb–O bond distances ranging from 2.29–2.38 Å. In the seventh Sb4+ site, Sb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sb–O bond distances ranging from 2.09–2.70 Å. There are twenty-one inequivalent O2- sites. In the first O2- site, O2- is bonded to three Lu3+ and one Sb4+ atom to form distorted OLu3Sb tetrahedra that share corners with six OLu2Sb2 tetrahedra and edges with four OLu3Sb tetrahedra. In the second O2- site, O2- is bonded to two Lu3+ and two Sb4+ atoms to form a mixture of distorted edge and corner-sharing OLu2Sb2 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Lu3+ and two Sb4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Sb4+ atoms. In the fifth O2- site, O2- is bonded to three Lu3+ and one Sb4+ atom to form a mixture of edge and corner-sharing OLu3Sb tetrahedra. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Lu3+ and two Sb4+ atoms. In the seventh O2- site, O2- is bonded to three Lu3+ and one Sb4+ atom to form a mixture of edge and corner-sharing OLu3Sb tetrahedra. In the eighth O2- site, O2- is bonded to two Lu3+ and two Sb4+ atoms to form a mixture of distorted edge and corner-sharing OLu2Sb2 tetrahedra. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Sb4+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Lu3+ and two Sb4+ atoms. In the eleventh O2- site, O2- is bonded to two Lu3+ and two Sb4+ atoms to form a mixture of distorted edge and corner-sharing OLu2Sb2 tetrahedra. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to two Lu3+ and two Sb4+ atoms. In the thirteenth O2- site, O2- is bonded to three Lu3+ and one Sb4+ atom to form a mixture of distorted edge and corner-sharing OLu3Sb tetrahedra. In the fourteenth O2- site, O2- is bonded to two Lu3+ and two Sb4+ atoms to form a mixture of distorted edge and corner-sharing OLu2Sb2 tetrahedra. In the fifteenth O2- site, O2- is bonded to two Lu3+ and two Sb4+ atoms to form distorted OLu2Sb2 tetrahedra that share corners with ten OLu3Sb tetrahedra and edges with three OLu2Sb2 tetrahedra. In the sixteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Lu3+ and two Sb4+ atoms. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and two Sb4+ atoms. In the eighteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Sb4+ atoms. In the nineteenth O2- site, O2- is bonded to two Lu3+ and two Sb4+ atoms to form a mixture of distorted edge and corner-sharing OLu2Sb2 tetrahedra. In the twentieth O2- site, O2- is bonded to three Lu3+ and one Sb4+ atom to form a mixture of edge and corner-sharing OLu3Sb tetrahedra. In the twenty-first O2- site, O2- is bonded to three Lu3+ and one Sb4+ atom to form a mixture of distorted edge and corner-sharing OLu3Sb tetrahedra.},
doi = {10.17188/1301311},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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