Materials Data on Rb2In2Sb3 by Materials Project

doi:10.17188/1197154

Title: Materials Data on Rb2In2Sb3 by Materials Project

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Abstract

Rb2In2Sb3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six Sb+2.67- atoms to form distorted RbSb6 pentagonal pyramids that share corners with eight InSb4 tetrahedra, edges with three RbSb6 pentagonal pyramids, and edges with four InSb4 tetrahedra. There are a spread of Rb–Sb bond distances ranging from 3.68–3.95 Å. In the second Rb1+ site, Rb1+ is bonded to six Sb+2.67- atoms to form distorted RbSb6 pentagonal pyramids that share corners with eight InSb4 tetrahedra, edges with three RbSb6 pentagonal pyramids, and edges with four InSb4 tetrahedra. There are a spread of Rb–Sb bond distances ranging from 3.65–4.14 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five Sb+2.67- atoms. There are a spread of Rb–Sb bond distances ranging from 3.81–3.95 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to four Sb+2.67- atoms. There are a spread of Rb–Sb bond distances ranging from 3.58–4.11 Å. There are four inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Sb+2.67- atoms to form InSb4 tetrahedra that share corners with four RbSb6more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-21760

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; Rb2In2Sb3; In-Rb-Sb

OSTI Identifier:: 1197154

DOI:: https://doi.org/10.17188/1197154

Citation Formats


                    The Materials Project. Materials Data on Rb2In2Sb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197154.

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                    The Materials Project. Materials Data on Rb2In2Sb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197154

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                    The Materials Project. 2020.  
"Materials Data on Rb2In2Sb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197154.  https://www.osti.gov/servlets/purl/1197154. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1197154,

  title        = {Materials Data on Rb2In2Sb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2In2Sb3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six Sb+2.67- atoms to form distorted RbSb6 pentagonal pyramids that share corners with eight InSb4 tetrahedra, edges with three RbSb6 pentagonal pyramids, and edges with four InSb4 tetrahedra. There are a spread of Rb–Sb bond distances ranging from 3.68–3.95 Å. In the second Rb1+ site, Rb1+ is bonded to six Sb+2.67- atoms to form distorted RbSb6 pentagonal pyramids that share corners with eight InSb4 tetrahedra, edges with three RbSb6 pentagonal pyramids, and edges with four InSb4 tetrahedra. There are a spread of Rb–Sb bond distances ranging from 3.65–4.14 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five Sb+2.67- atoms. There are a spread of Rb–Sb bond distances ranging from 3.81–3.95 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to four Sb+2.67- atoms. There are a spread of Rb–Sb bond distances ranging from 3.58–4.11 Å. There are four inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Sb+2.67- atoms to form InSb4 tetrahedra that share corners with four RbSb6 pentagonal pyramids, corners with five InSb4 tetrahedra, edges with two RbSb6 pentagonal pyramids, and an edgeedge with one InSb4 tetrahedra. There are a spread of In–Sb bond distances ranging from 2.87–3.02 Å. In the second In3+ site, In3+ is bonded to four Sb+2.67- atoms to form InSb4 tetrahedra that share corners with four RbSb6 pentagonal pyramids, corners with five InSb4 tetrahedra, edges with two equivalent RbSb6 pentagonal pyramids, and an edgeedge with one InSb4 tetrahedra. There are three shorter (2.91 Å) and one longer (2.92 Å) In–Sb bond lengths. In the third In3+ site, In3+ is bonded to four Sb+2.67- atoms to form InSb4 tetrahedra that share corners with four RbSb6 pentagonal pyramids, corners with five InSb4 tetrahedra, edges with two RbSb6 pentagonal pyramids, and an edgeedge with one InSb4 tetrahedra. There are a spread of In–Sb bond distances ranging from 2.87–2.95 Å. In the fourth In3+ site, In3+ is bonded to four Sb+2.67- atoms to form InSb4 tetrahedra that share corners with four RbSb6 pentagonal pyramids, corners with five InSb4 tetrahedra, edges with two equivalent RbSb6 pentagonal pyramids, and an edgeedge with one InSb4 tetrahedra. There are a spread of In–Sb bond distances ranging from 2.93–2.98 Å. There are six inequivalent Sb+2.67- sites. In the first Sb+2.67- site, Sb+2.67- is bonded in a 5-coordinate geometry to three Rb1+ and three In3+ atoms. In the second Sb+2.67- site, Sb+2.67- is bonded to four Rb1+ and three In3+ atoms to form edge-sharing SbRb4In3 pentagonal bipyramids. In the third Sb+2.67- site, Sb+2.67- is bonded in a 6-coordinate geometry to three Rb1+ and three In3+ atoms. In the fourth Sb+2.67- site, Sb+2.67- is bonded in a 7-coordinate geometry to four Rb1+, two In3+, and one Sb+2.67- atom. The Sb–Sb bond length is 2.89 Å. In the fifth Sb+2.67- site, Sb+2.67- is bonded in a 6-coordinate geometry to three Rb1+ and three In3+ atoms. In the sixth Sb+2.67- site, Sb+2.67- is bonded in a 7-coordinate geometry to four Rb1+, two In3+, and one Sb+2.67- atom.},

  doi          = {10.17188/1197154},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1197154

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