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Title: Materials Data on Ce2TeMo6(H6O7)6 by Materials Project

Abstract

Ce2Mo6Te(H14O19)2(H2O)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of four water molecules and one Ce2Mo6Te(H14O19)2 framework. In the Ce2Mo6Te(H14O19)2 framework, Ce is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ce–O bond distances ranging from 2.42–2.73 Å. There are three 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 1.74–2.35 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 1.74–2.33 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 1.74–2.34 Å. There are fourteen inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the second H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.71 Å) H–O bond length. In themore » third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. In the fourth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.71 Å) H–O bond length. In the fifth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the sixth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the seventh H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the eighth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the ninth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (0.99 Å) and one longer (1.73 Å) H–O bond length. In the tenth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the eleventh H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the twelfth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the thirteenth H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.68 Å) H–O bond length. In the fourteenth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.93–1.98 Å. There are nineteen inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two Mo and one Te atom. In the second O site, O is bonded in a 4-coordinate geometry to two Mo, one H, and one Te atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two Mo and one H atom. In the fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Mo atom. In the seventh O site, O is bonded to two Mo, one H, and one Te atom to form distorted corner-sharing OTeMo2H trigonal pyramids. In the eighth O site, O is bonded in a distorted trigonal planar geometry to two Mo and one H atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Ce and 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 single-bond geometry to one Mo atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Mo atom. In the thirteenth O site, O is bonded in a water-like geometry to one Ce and two H atoms. In the fourteenth O site, O is bonded in a water-like geometry to one Ce and two H atoms. In the fifteenth O site, O is bonded in a water-like geometry to one Ce and two H atoms. In the sixteenth O site, O is bonded in a water-like geometry to one Ce and two H atoms. In the seventeenth O site, O is bonded in a water-like geometry to one Ce and two H atoms. In the eighteenth O site, O is bonded in a water-like geometry to one Ce and two H atoms. In the nineteenth O site, O is bonded in a water-like geometry to two H atoms.« less

Publication Date:
Other Number(s):
mp-1201322
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; Ce2TeMo6(H6O7)6; Ce-H-Mo-O-Te
OSTI Identifier:
1759274
DOI:
https://doi.org/10.17188/1759274

Citation Formats

The Materials Project. Materials Data on Ce2TeMo6(H6O7)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759274.
The Materials Project. Materials Data on Ce2TeMo6(H6O7)6 by Materials Project. United States. doi:https://doi.org/10.17188/1759274
The Materials Project. 2020. "Materials Data on Ce2TeMo6(H6O7)6 by Materials Project". United States. doi:https://doi.org/10.17188/1759274. https://www.osti.gov/servlets/purl/1759274. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759274,
title = {Materials Data on Ce2TeMo6(H6O7)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2Mo6Te(H14O19)2(H2O)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of four water molecules and one Ce2Mo6Te(H14O19)2 framework. In the Ce2Mo6Te(H14O19)2 framework, Ce is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ce–O bond distances ranging from 2.42–2.73 Å. There are three 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 1.74–2.35 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 1.74–2.33 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 1.74–2.34 Å. There are fourteen inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the second H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.71 Å) H–O bond length. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. In the fourth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.71 Å) H–O bond length. In the fifth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the sixth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the seventh H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the eighth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the ninth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (0.99 Å) and one longer (1.73 Å) H–O bond length. In the tenth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the eleventh H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the twelfth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the thirteenth H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.68 Å) H–O bond length. In the fourteenth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.93–1.98 Å. There are nineteen inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two Mo and one Te atom. In the second O site, O is bonded in a 4-coordinate geometry to two Mo, one H, and one Te atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two Mo and one H atom. In the fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Mo atom. In the seventh O site, O is bonded to two Mo, one H, and one Te atom to form distorted corner-sharing OTeMo2H trigonal pyramids. In the eighth O site, O is bonded in a distorted trigonal planar geometry to two Mo and one H atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Ce and 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 single-bond geometry to one Mo atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Ce and one Mo atom. In the thirteenth O site, O is bonded in a water-like geometry to one Ce and two H atoms. In the fourteenth O site, O is bonded in a water-like geometry to one Ce and two H atoms. In the fifteenth O site, O is bonded in a water-like geometry to one Ce and two H atoms. In the sixteenth O site, O is bonded in a water-like geometry to one Ce and two H atoms. In the seventeenth O site, O is bonded in a water-like geometry to one Ce and two H atoms. In the eighteenth O site, O is bonded in a water-like geometry to one Ce and two H atoms. In the nineteenth O site, O is bonded in a water-like geometry to two H atoms.},
doi = {10.17188/1759274},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}