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Title: Materials Data on Rb2Te(MoO5)3 by Materials Project

Abstract

Rb2Te(MoO5)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.61 Å. In the second Rb site, Rb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.23 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 4-coordinate geometry to five 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 1.74–2.38 Å. In the third Mo site, Mo is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.35 Å. Te is bonded in a tetrahedral geometry to four O atoms. There are a spread of Te–O bond distances ranging from 1.81–1.89 Å. There are fifteen inequivalent O sites. In the first O site, O ismore » bonded in a single-bond geometry to one Rb and one Te atom. In the second O site, O is bonded in a 1-coordinate geometry to one Rb, two Mo, and one Te atom. In the third O site, O is bonded in a 1-coordinate geometry to two Mo and one Te atom. 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 120 degrees geometry to two Mo atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Mo atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to one Rb and one Mo atom. In the thirteenth O site, O is bonded in a single-bond geometry to one Rb and one O atom. The O–O bond length is 1.23 Å. In the fourteenth O site, O is bonded in a single-bond geometry to one Rb and one Te atom. In the fifteenth O site, O is bonded in a distorted single-bond geometry to one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1179896
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; Rb2Te(MoO5)3; Mo-O-Rb-Te
OSTI Identifier:
1710958
DOI:
https://doi.org/10.17188/1710958

Citation Formats

The Materials Project. Materials Data on Rb2Te(MoO5)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710958.
The Materials Project. Materials Data on Rb2Te(MoO5)3 by Materials Project. United States. doi:https://doi.org/10.17188/1710958
The Materials Project. 2020. "Materials Data on Rb2Te(MoO5)3 by Materials Project". United States. doi:https://doi.org/10.17188/1710958. https://www.osti.gov/servlets/purl/1710958. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1710958,
title = {Materials Data on Rb2Te(MoO5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2Te(MoO5)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.61 Å. In the second Rb site, Rb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.23 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 4-coordinate geometry to five 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 1.74–2.38 Å. In the third Mo site, Mo is bonded in a 4-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.35 Å. Te is bonded in a tetrahedral geometry to four O atoms. There are a spread of Te–O bond distances ranging from 1.81–1.89 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Rb and one Te atom. In the second O site, O is bonded in a 1-coordinate geometry to one Rb, two Mo, and one Te atom. In the third O site, O is bonded in a 1-coordinate geometry to two Mo and one Te atom. 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 120 degrees geometry to two Mo atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Mo atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to two Rb and one Mo atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to one Rb and one Mo atom. In the thirteenth O site, O is bonded in a single-bond geometry to one Rb and one O atom. The O–O bond length is 1.23 Å. In the fourteenth O site, O is bonded in a single-bond geometry to one Rb and one Te atom. In the fifteenth O site, O is bonded in a distorted single-bond geometry to one O atom.},
doi = {10.17188/1710958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}