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Title: Materials Data on Ce2Te(Mo2O15)3 by Materials Project

Abstract

Ce2Mo6TeO43O2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one oxygen molecule and one Ce2Mo6TeO43 ribbon oriented in the (-1, 1, 0) direction. In the Ce2Mo6TeO43 ribbon, there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ce–O bond distances ranging from 2.01–2.87 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.14–2.92 Å. There are six inequivalent Mo sites. In the first 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 1.71–2.36 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 1.71–2.39 Å. In the third 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 1.72–2.54 Å. In the fourth Mo site, Mo is bonded in a 6-coordinate geometry to six Omore » atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.47 Å. In the fifth 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 1.71–2.57 Å. In the sixth 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 1.71–2.50 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.91–2.02 Å. There are forty-three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two Mo and one Te atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to two Mo and one Te atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Ce and one O atom. The O–O bond length is 1.33 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Ce and one O atom. The O–O bond length is 1.32 Å. In the seventh O site, O is bonded in a single-bond geometry to one Ce atom. In the eighth O site, O is bonded in a single-bond geometry to one Ce atom. In the ninth O site, O is bonded in a linear geometry to one Ce and one Mo atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Mo atom. In the eleventh O site, O is bonded in a single-bond geometry to 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 two Mo atoms. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fifteenth O site, O is bonded in a 3-coordinate geometry to two Mo and one Te atom. In the sixteenth O site, O is bonded in a 3-coordinate geometry to two Mo and one Te atom. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to one Ce and one O atom. The O–O bond length is 1.33 Å. In the eighteenth O site, O is bonded in a 1-coordinate geometry to one Ce and one O atom. The O–O bond length is 2.04 Å. In the nineteenth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.26 Å. In the twentieth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.26 Å. In the twenty-first O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the twenty-second O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the twenty-third O site, O is bonded in a bent 120 degrees geometry to one Ce and one O atom. In the twenty-fourth O site, O is bonded in a bent 120 degrees geometry to one Ce and one O atom. In the twenty-fifth O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the twenty-sixth O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the twenty-seventh O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the twenty-eighth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the twenty-ninth O site, O is bonded in a 3-coordinate geometry to two Mo and one Te atom. In the thirtieth O site, O is bonded in a 2-coordinate geometry to two Mo and one Te atom. In the thirty-first O site, O is bonded in a single-bond geometry to one Mo atom. In the thirty-second O site, O is bonded in a single-bond geometry to one Mo atom. In the thirty-third O site, O is bonded in a single-bond geometry to one Mo atom. In the thirty-fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the thirty-fifth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Mo atom. In the thirty-sixth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Mo atom. In the thirty-seventh O site, O is bonded in a single-bond geometry to one Mo atom. In the thirty-eighth O site, O is bonded in a single-bond geometry to one Mo atom. In the thirty-ninth O site, O is bonded in a single-bond geometry to one Ce atom. In the fortieth O site, O is bonded in a single-bond geometry to one Ce atom. In the forty-first O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.26 Å. In the forty-second O site, O is bonded in a single-bond geometry to one Ce and one O atom. In the forty-third O site, O is bonded in a single-bond geometry to one O atom.« less

Publication Date:
Other Number(s):
mp-1229283
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; Ce2Te(Mo2O15)3; Ce-Mo-O-Te
OSTI Identifier:
1663777
DOI:
https://doi.org/10.17188/1663777

Citation Formats

The Materials Project. Materials Data on Ce2Te(Mo2O15)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663777.
The Materials Project. Materials Data on Ce2Te(Mo2O15)3 by Materials Project. United States. doi:https://doi.org/10.17188/1663777
The Materials Project. 2020. "Materials Data on Ce2Te(Mo2O15)3 by Materials Project". United States. doi:https://doi.org/10.17188/1663777. https://www.osti.gov/servlets/purl/1663777. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1663777,
title = {Materials Data on Ce2Te(Mo2O15)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2Mo6TeO43O2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one oxygen molecule and one Ce2Mo6TeO43 ribbon oriented in the (-1, 1, 0) direction. In the Ce2Mo6TeO43 ribbon, there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ce–O bond distances ranging from 2.01–2.87 Å. In the second Ce site, Ce is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.14–2.92 Å. There are six inequivalent Mo sites. In the first 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 1.71–2.36 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 1.71–2.39 Å. In the third 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 1.72–2.54 Å. In the fourth 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 1.72–2.47 Å. In the fifth 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 1.71–2.57 Å. In the sixth 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 1.71–2.50 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.91–2.02 Å. There are forty-three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two Mo and one Te atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to two Mo and one Te atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Ce and one O atom. The O–O bond length is 1.33 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Ce and one O atom. The O–O bond length is 1.32 Å. In the seventh O site, O is bonded in a single-bond geometry to one Ce atom. In the eighth O site, O is bonded in a single-bond geometry to one Ce atom. In the ninth O site, O is bonded in a linear geometry to one Ce and one Mo atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Mo atom. In the eleventh O site, O is bonded in a single-bond geometry to 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 two Mo atoms. In the fourteenth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fifteenth O site, O is bonded in a 3-coordinate geometry to two Mo and one Te atom. In the sixteenth O site, O is bonded in a 3-coordinate geometry to two Mo and one Te atom. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to one Ce and one O atom. The O–O bond length is 1.33 Å. In the eighteenth O site, O is bonded in a 1-coordinate geometry to one Ce and one O atom. The O–O bond length is 2.04 Å. In the nineteenth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.26 Å. In the twentieth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.26 Å. In the twenty-first O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the twenty-second O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the twenty-third O site, O is bonded in a bent 120 degrees geometry to one Ce and one O atom. In the twenty-fourth O site, O is bonded in a bent 120 degrees geometry to one Ce and one O atom. In the twenty-fifth O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the twenty-sixth O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the twenty-seventh O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the twenty-eighth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the twenty-ninth O site, O is bonded in a 3-coordinate geometry to two Mo and one Te atom. In the thirtieth O site, O is bonded in a 2-coordinate geometry to two Mo and one Te atom. In the thirty-first O site, O is bonded in a single-bond geometry to one Mo atom. In the thirty-second O site, O is bonded in a single-bond geometry to one Mo atom. In the thirty-third O site, O is bonded in a single-bond geometry to one Mo atom. In the thirty-fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the thirty-fifth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Mo atom. In the thirty-sixth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Mo atom. In the thirty-seventh O site, O is bonded in a single-bond geometry to one Mo atom. In the thirty-eighth O site, O is bonded in a single-bond geometry to one Mo atom. In the thirty-ninth O site, O is bonded in a single-bond geometry to one Ce atom. In the fortieth O site, O is bonded in a single-bond geometry to one Ce atom. In the forty-first O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.26 Å. In the forty-second O site, O is bonded in a single-bond geometry to one Ce and one O atom. In the forty-third O site, O is bonded in a single-bond geometry to one O atom.},
doi = {10.17188/1663777},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}