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Title: Materials Data on Er2V10O53 by Materials Project

Abstract

(ErV5O24)4(O2)5 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two oxygen molecules; one water molecule; and one ErV5O24 ribbon oriented in the (0, 1, 1) direction. In the ErV5O24 ribbon, Er is bonded in a 5-coordinate geometry to six O atoms. There are a spread of Er–O bond distances ranging from 2.13–2.52 Å. There are five inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.61–2.29 Å. In the second V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.62–2.29 Å. In the third V site, V is bonded in a 5-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.72–2.56 Å. In the fourth V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.66–2.44 Å. In the fifth V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bondmore » distances ranging from 1.71–2.26 Å. There are twenty-four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one V atom. In the second O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three V atoms. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three V atoms. In the sixth O site, O is bonded in a 6-coordinate geometry to six V atoms. In the seventh O site, O is bonded in a single-bond geometry to one V atom. In the eighth O site, O is bonded in a water-like geometry to two V atoms. In the ninth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Er and one V atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the twelfth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the thirteenth O site, O is bonded in a distorted water-like geometry to two V atoms. In the fourteenth O site, O is bonded in a distorted bent 120 degrees geometry to one V and one O atom. The O–O bond length is 1.37 Å. In the fifteenth O site, O is bonded in a bent 150 degrees geometry to one Er and one O atom. The O–O bond length is 1.42 Å. In the sixteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Er and one O atom. The O–O bond length is 1.34 Å. In the seventeenth O site, O is bonded in an L-shaped geometry to one Er and one O atom. The O–O bond length is 1.29 Å. In the eighteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.27 Å) and one longer (1.39 Å) O–O bond length. In the nineteenth O site, O is bonded in a 1-coordinate geometry to one Er and one O atom. In the twentieth O site, O is bonded in a bent 120 degrees geometry to one Er and one O atom. In the twenty-first O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the twenty-second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.25 Å. In the twenty-third O site, O is bonded in a single-bond geometry to one O atom. In the twenty-fourth O site, O is bonded in a bent 120 degrees geometry to two O atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1204535
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Er2V10O53; Er-O-V
OSTI Identifier:
1732363
DOI:
https://doi.org/10.17188/1732363

Citation Formats

The Materials Project. Materials Data on Er2V10O53 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1732363.
The Materials Project. Materials Data on Er2V10O53 by Materials Project. United States. doi:https://doi.org/10.17188/1732363
The Materials Project. 2019. "Materials Data on Er2V10O53 by Materials Project". United States. doi:https://doi.org/10.17188/1732363. https://www.osti.gov/servlets/purl/1732363. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1732363,
title = {Materials Data on Er2V10O53 by Materials Project},
author = {The Materials Project},
abstractNote = {(ErV5O24)4(O2)5 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two oxygen molecules; one water molecule; and one ErV5O24 ribbon oriented in the (0, 1, 1) direction. In the ErV5O24 ribbon, Er is bonded in a 5-coordinate geometry to six O atoms. There are a spread of Er–O bond distances ranging from 2.13–2.52 Å. There are five inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.61–2.29 Å. In the second V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.62–2.29 Å. In the third V site, V is bonded in a 5-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.72–2.56 Å. In the fourth V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.66–2.44 Å. In the fifth V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.71–2.26 Å. There are twenty-four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one V atom. In the second O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three V atoms. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three V atoms. In the sixth O site, O is bonded in a 6-coordinate geometry to six V atoms. In the seventh O site, O is bonded in a single-bond geometry to one V atom. In the eighth O site, O is bonded in a water-like geometry to two V atoms. In the ninth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Er and one V atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the twelfth O site, O is bonded in a bent 120 degrees geometry to two V atoms. In the thirteenth O site, O is bonded in a distorted water-like geometry to two V atoms. In the fourteenth O site, O is bonded in a distorted bent 120 degrees geometry to one V and one O atom. The O–O bond length is 1.37 Å. In the fifteenth O site, O is bonded in a bent 150 degrees geometry to one Er and one O atom. The O–O bond length is 1.42 Å. In the sixteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Er and one O atom. The O–O bond length is 1.34 Å. In the seventeenth O site, O is bonded in an L-shaped geometry to one Er and one O atom. The O–O bond length is 1.29 Å. In the eighteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.27 Å) and one longer (1.39 Å) O–O bond length. In the nineteenth O site, O is bonded in a 1-coordinate geometry to one Er and one O atom. In the twentieth O site, O is bonded in a bent 120 degrees geometry to one Er and one O atom. In the twenty-first O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the twenty-second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.25 Å. In the twenty-third O site, O is bonded in a single-bond geometry to one O atom. In the twenty-fourth O site, O is bonded in a bent 120 degrees geometry to two O atoms.},
doi = {10.17188/1732363},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}