Materials Data on Rb2B2Se7 by Materials Project

doi:10.17188/1191624

Title: Materials Data on Rb2B2Se7 by Materials Project

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Abstract

Rb2B2Se7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Se+1.14- atoms. There are a spread of Rb–Se bond distances ranging from 3.53–3.96 Å. B3+ is bonded to four Se+1.14- atoms to form corner-sharing BSe4 tetrahedra. There are a spread of B–Se bond distances ranging from 2.05–2.08 Å. There are four inequivalent Se+1.14- sites. In the first Se+1.14- site, Se+1.14- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one B3+ atom. In the second Se+1.14- site, Se+1.14- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one B3+ atom. In the third Se+1.14- site, Se+1.14- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one B3+ atom. In the fourth Se+1.14- site, Se+1.14- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two equivalent B3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-16184

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; Rb2B2Se7; B-Rb-Se

OSTI Identifier:: 1191624

DOI:: https://doi.org/10.17188/1191624

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                    The Materials Project. Materials Data on Rb2B2Se7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191624.

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                    The Materials Project. Materials Data on Rb2B2Se7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191624

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                    The Materials Project. 2020.  
"Materials Data on Rb2B2Se7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191624.  https://www.osti.gov/servlets/purl/1191624. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1191624,

  title        = {Materials Data on Rb2B2Se7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2B2Se7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Se+1.14- atoms. There are a spread of Rb–Se bond distances ranging from 3.53–3.96 Å. B3+ is bonded to four Se+1.14- atoms to form corner-sharing BSe4 tetrahedra. There are a spread of B–Se bond distances ranging from 2.05–2.08 Å. There are four inequivalent Se+1.14- sites. In the first Se+1.14- site, Se+1.14- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one B3+ atom. In the second Se+1.14- site, Se+1.14- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one B3+ atom. In the third Se+1.14- site, Se+1.14- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one B3+ atom. In the fourth Se+1.14- site, Se+1.14- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two equivalent B3+ atoms.},

  doi          = {10.17188/1191624},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191624

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