Materials Data on Rb3B3O10 by Materials Project

doi:10.17188/1729322

Title: Materials Data on Rb3B3O10 by Materials Project

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Abstract

Rb3B3O10 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.34 Å. In the second 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 2.87–3.30 Å. In the third Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.46 Å. There are three inequivalent B sites. In the first B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.47 Å. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.47 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.35 Å) and two longer (1.40 Å) B–O bond length. There are tenmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1202870

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; Rb3B3O10; B-O-Rb

OSTI Identifier:: 1729322

DOI:: https://doi.org/10.17188/1729322

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                    The Materials Project. Materials Data on Rb3B3O10 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1729322.

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                    The Materials Project. Materials Data on Rb3B3O10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729322

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                    The Materials Project. 2019.  
"Materials Data on Rb3B3O10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729322.  https://www.osti.gov/servlets/purl/1729322. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1729322,

  title        = {Materials Data on Rb3B3O10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3B3O10 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.34 Å. In the second 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 2.87–3.30 Å. In the third Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.46 Å. There are three inequivalent B sites. In the first B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.47 Å. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.47 Å. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.35 Å) and two longer (1.40 Å) B–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Rb and one B atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb and two B atoms. In the third O site, O is bonded in a distorted single-bond geometry to three Rb and one B atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Rb and one B atom. In the fifth O site, O is bonded in a 3-coordinate geometry to three Rb atoms. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two Rb and two B atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one Rb and one B atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to two Rb and two B atoms. In the ninth O site, O is bonded to four Rb atoms to form distorted corner-sharing ORb4 trigonal pyramids. In the tenth O site, O is bonded in a distorted single-bond geometry to three Rb and one B atom.},

  doi          = {10.17188/1729322},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1729322

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