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Title: Materials Data on La2Te(Mo3O22)2 by Materials Project

Abstract

La2Te(Mo3O22)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one La2Te(Mo3O22)2 sheet oriented in the (0, 0, 1) direction. La is bonded in a 5-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.25–3.25 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.59 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.55 Å. In the third Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.27 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.94–2.09 Å. There are twenty-two inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two Mo, one Te, and one O atom. The O–O bond length is 1.42 Å. In the second O site,more » O is bonded in a distorted trigonal non-coplanar geometry to two Mo and one Te atom. In the third O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one La and one Mo atom. In the sixth O site, O is bonded in a single-bond geometry to one Mo atom. In the seventh O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Te atom. In the eighth O site, O is bonded in a trigonal planar geometry to two Mo and one O atom. The O–O bond length is 1.38 Å. In the ninth O site, O is bonded in a single-bond geometry to one Mo atom. In the tenth O site, O is bonded in a single-bond geometry to one Mo atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one La and one Mo atom. In the twelfth O site, O is bonded in a single-bond geometry to one Mo atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to one La and one O atom. The O–O bond length is 1.39 Å. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.27 Å. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one O atom. In the sixteenth O site, O is bonded in a bent 150 degrees geometry to one La and one O atom. The O–O bond length is 1.23 Å. In the seventeenth O site, O is bonded in a bent 150 degrees geometry to one La and one O atom. In the eighteenth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one O atom. The O–O bond length is 1.23 Å. In the nineteenth O site, O is bonded in a distorted single-bond geometry to one La and one O atom. The O–O bond length is 1.23 Å. In the twentieth O site, O is bonded in a single-bond geometry to one O atom. In the twenty-first O site, O is bonded in a single-bond geometry to one O atom. In the twenty-second O site, O is bonded in a single-bond geometry to one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1198614
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; La2Te(Mo3O22)2; La-Mo-O-Te
OSTI Identifier:
1705909
DOI:
https://doi.org/10.17188/1705909

Citation Formats

The Materials Project. Materials Data on La2Te(Mo3O22)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705909.
The Materials Project. Materials Data on La2Te(Mo3O22)2 by Materials Project. United States. doi:https://doi.org/10.17188/1705909
The Materials Project. 2019. "Materials Data on La2Te(Mo3O22)2 by Materials Project". United States. doi:https://doi.org/10.17188/1705909. https://www.osti.gov/servlets/purl/1705909. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1705909,
title = {Materials Data on La2Te(Mo3O22)2 by Materials Project},
author = {The Materials Project},
abstractNote = {La2Te(Mo3O22)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one La2Te(Mo3O22)2 sheet oriented in the (0, 0, 1) direction. La is bonded in a 5-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.25–3.25 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.59 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.55 Å. In the third Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.27 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.94–2.09 Å. There are twenty-two inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two Mo, one Te, and one O atom. The O–O bond length is 1.42 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two Mo and one Te atom. In the third O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one La and one Mo atom. In the sixth O site, O is bonded in a single-bond geometry to one Mo atom. In the seventh O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Te atom. In the eighth O site, O is bonded in a trigonal planar geometry to two Mo and one O atom. The O–O bond length is 1.38 Å. In the ninth O site, O is bonded in a single-bond geometry to one Mo atom. In the tenth O site, O is bonded in a single-bond geometry to one Mo atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one La and one Mo atom. In the twelfth O site, O is bonded in a single-bond geometry to one Mo atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to one La and one O atom. The O–O bond length is 1.39 Å. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.27 Å. In the fifteenth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one O atom. In the sixteenth O site, O is bonded in a bent 150 degrees geometry to one La and one O atom. The O–O bond length is 1.23 Å. In the seventeenth O site, O is bonded in a bent 150 degrees geometry to one La and one O atom. In the eighteenth O site, O is bonded in a distorted bent 150 degrees geometry to one La and one O atom. The O–O bond length is 1.23 Å. In the nineteenth O site, O is bonded in a distorted single-bond geometry to one La and one O atom. The O–O bond length is 1.23 Å. In the twentieth O site, O is bonded in a single-bond geometry to one O atom. In the twenty-first O site, O is bonded in a single-bond geometry to one O atom. In the twenty-second O site, O is bonded in a single-bond geometry to one O atom.},
doi = {10.17188/1705909},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}