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Title: Materials Data on Lu2Te5O13 by Materials Project

Abstract

Lu2Te5O13 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Lu2Te5O13 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Lu–O bond distances ranging from 2.16–2.34 Å. In the second Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.24–2.70 Å. There are five inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 6-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.49 Å. In the second Te4+ site, Te4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.15 Å. In the third Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.47 Å. In the fourth Te4+ site, Te4+ is bonded in a 4-coordinate geometry to three O2- atoms. There is two shorter (1.91more » Å) and one longer (1.94 Å) Te–O bond length. In the fifth Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.52 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Lu3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Lu3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Lu3+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Lu3+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Lu3+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Lu3+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+ and two Te4+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+ and two equivalent Te4+ atoms. In the twelfth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Lu3+ and one Te4+ atom.« less

Publication Date:
Other Number(s):
mp-557829
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; Lu2Te5O13; Lu-O-Te
OSTI Identifier:
1270034
DOI:
https://doi.org/10.17188/1270034

Citation Formats

The Materials Project. Materials Data on Lu2Te5O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270034.
The Materials Project. Materials Data on Lu2Te5O13 by Materials Project. United States. doi:https://doi.org/10.17188/1270034
The Materials Project. 2020. "Materials Data on Lu2Te5O13 by Materials Project". United States. doi:https://doi.org/10.17188/1270034. https://www.osti.gov/servlets/purl/1270034. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1270034,
title = {Materials Data on Lu2Te5O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2Te5O13 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Lu2Te5O13 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Lu–O bond distances ranging from 2.16–2.34 Å. In the second Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.24–2.70 Å. There are five inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 6-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.49 Å. In the second Te4+ site, Te4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.15 Å. In the third Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.47 Å. In the fourth Te4+ site, Te4+ is bonded in a 4-coordinate geometry to three O2- atoms. There is two shorter (1.91 Å) and one longer (1.94 Å) Te–O bond length. In the fifth Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.52 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Lu3+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Lu3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Lu3+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Lu3+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Lu3+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Lu3+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+ and two Te4+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+ and two equivalent Te4+ atoms. In the twelfth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Lu3+ and one Te4+ atom.},
doi = {10.17188/1270034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}