U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2TeMo6(H5O9)4 by Materials Project
Abstract
Sm2Mo6Te(H10O17)2O2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two water molecules and one Sm2Mo6Te(H10O17)2 framework. In the Sm2Mo6Te(H10O17)2 framework, Sm is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sm–O bond distances ranging from 2.40–2.54 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 1.75–2.31 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 1.74–2.35 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 1.74–2.32 Å. There are ten 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 0.98 Å. In the second H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (0.99 Å) and one longer (1.75 Å) H–O bond length. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1198228
- 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; Sm2TeMo6(H5O9)4; H-Mo-O-Sm-Te
- OSTI Identifier:
- 1654425
- DOI:
- https://doi.org/10.17188/1654425
Citation Formats
The Materials Project. Materials Data on Sm2TeMo6(H5O9)4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1654425.
The Materials Project. Materials Data on Sm2TeMo6(H5O9)4 by Materials Project. United States. doi:https://doi.org/10.17188/1654425
The Materials Project. 2019.
"Materials Data on Sm2TeMo6(H5O9)4 by Materials Project". United States. doi:https://doi.org/10.17188/1654425. https://www.osti.gov/servlets/purl/1654425. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1654425,
title = {Materials Data on Sm2TeMo6(H5O9)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2Mo6Te(H10O17)2O2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two water molecules and one Sm2Mo6Te(H10O17)2 framework. In the Sm2Mo6Te(H10O17)2 framework, Sm is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sm–O bond distances ranging from 2.40–2.54 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 1.75–2.31 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 1.74–2.35 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 1.74–2.32 Å. There are ten 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 0.98 Å. In the second H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (0.99 Å) and one longer (1.75 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 0.98 Å. In the fourth 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 fifth 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 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 0.98 Å. In the eighth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the ninth 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 tenth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.70 Å) H–O bond length. Te is bonded in an octahedral geometry to six O atoms. There is four shorter (1.96 Å) and two longer (1.97 Å) Te–O bond length. There are seventeen inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one Sm and two H atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the third O site, O is bonded in a 4-coordinate geometry to two Mo, one H, and one Te atom. In the fourth O site, O is bonded in a trigonal planar geometry to two Mo and one H atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to two Mo and one Te atom. In the sixth O site, O is bonded in a 3-coordinate geometry to two Mo and one Te atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Mo atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one Mo atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Sm 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 distorted water-like geometry to one Sm and two H atoms. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one Mo and one H atom. In the fourteenth O site, O is bonded in a water-like geometry to one Sm and two H atoms. In the fifteenth O site, O is bonded in a distorted water-like geometry to one Sm and two H atoms. In the sixteenth O site, O is bonded in a water-like geometry to one Sm and two H atoms. In the seventeenth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Mo atom.},
doi = {10.17188/1654425},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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