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Title: Materials Data on Er2Te5O13 by Materials Project

Abstract

Er2Te5O13 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Er2Te5O13 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.29–2.63 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.20–2.81 Å. There are five inequivalent Te4+ sites. In the first 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 1.89–2.53 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.94 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 1.91–2.46 Å. In the fourth Te4+ site, Te4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–Omore » bond distances ranging from 1.89–2.16 Å. In the fifth Te4+ site, Te4+ is bonded in a 5-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.01 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Er3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Er3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Er3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Er3+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Er3+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+ and two Te4+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Te4+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Er3+ and one Te4+ atom.« less

Publication Date:
Other Number(s):
mp-559304
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; Er2Te5O13; Er-O-Te
OSTI Identifier:
1270795
DOI:
https://doi.org/10.17188/1270795

Citation Formats

The Materials Project. Materials Data on Er2Te5O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270795.
The Materials Project. Materials Data on Er2Te5O13 by Materials Project. United States. doi:https://doi.org/10.17188/1270795
The Materials Project. 2020. "Materials Data on Er2Te5O13 by Materials Project". United States. doi:https://doi.org/10.17188/1270795. https://www.osti.gov/servlets/purl/1270795. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1270795,
title = {Materials Data on Er2Te5O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2Te5O13 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Er2Te5O13 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.29–2.63 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.20–2.81 Å. There are five inequivalent Te4+ sites. In the first 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 1.89–2.53 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.94 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 1.91–2.46 Å. In the fourth 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 1.89–2.16 Å. In the fifth Te4+ site, Te4+ is bonded in a 5-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.01 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Er3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Er3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Er3+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Er3+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Er3+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two Er3+ and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+ and two Te4+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Te4+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Er3+ and one Te4+ atom.},
doi = {10.17188/1270795},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}