Materials Data on Rb2Mo3O11 by Materials Project

doi:10.17188/1721887

Title: Materials Data on Rb2Mo3O11 by Materials Project

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Abstract

Rb2Mo3O11 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.37 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.29 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 1.74–2.27 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 1.74–2.27 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 eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Rb and three Mo atoms. In the second O site, O is bonded in a 4-coordinatemore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1219975

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; Rb2Mo3O11; Mo-O-Rb

OSTI Identifier:: 1721887

DOI:: https://doi.org/10.17188/1721887

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                    The Materials Project. Materials Data on Rb2Mo3O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721887.

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                    The Materials Project. Materials Data on Rb2Mo3O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721887

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                    The Materials Project. 2020.  
"Materials Data on Rb2Mo3O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721887.  https://www.osti.gov/servlets/purl/1721887. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1721887,

  title        = {Materials Data on Rb2Mo3O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2Mo3O11 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.37 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.29 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 1.74–2.27 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 1.74–2.27 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 eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Rb and three Mo atoms. In the second O site, O is bonded in a 4-coordinate geometry to one Rb and three Mo atoms. In the third O site, O is bonded in a distorted single-bond geometry to one Rb and one Mo atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Rb and one Mo atom. In the fifth O site, O is bonded in a distorted water-like geometry to two Rb atoms. In the sixth O site, O is bonded in a 3-coordinate geometry to three Mo atoms. In the seventh O site, O is bonded in a 3-coordinate geometry to three Mo atoms. In the eighth O site, O is bonded in a distorted single-bond geometry to three Rb and one Mo atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Rb and one Mo atom. In the tenth O site, O is bonded in a distorted single-bond geometry to three Rb and one Mo atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Mo atom.},

  doi          = {10.17188/1721887},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1721887

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