Materials Data on Rb5Mo18S19 by Materials Project

doi:10.17188/1281586

Title: Materials Data on Rb5Mo18S19 by Materials Project

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Abstract

Rb5Mo18S19 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are five inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven S atoms. There are a spread of Rb–S bond distances ranging from 3.41–3.55 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine S atoms. There are a spread of Rb–S bond distances ranging from 3.40–3.81 Å. In the third Rb site, Rb is bonded in a 9-coordinate geometry to nine S atoms. There are a spread of Rb–S bond distances ranging from 3.46–3.68 Å. In the fourth Rb site, Rb is bonded in a 9-coordinate geometry to nine S atoms. There are a spread of Rb–S bond distances ranging from 3.49–3.61 Å. In the fifth Rb site, Rb is bonded in a 9-coordinate geometry to nine S atoms. There are a spread of Rb–S bond distances ranging from 3.48–3.68 Å. There are six inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.49–2.60 Å. In the second Mo site, Mo ismore »« less

Authors:: The Materials Project

Publication Date:: Fri Oct 04 00:00:00 EDT 2013

Other Number(s):: mp-669350

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; Rb5Mo18S19; Mo-Rb-S

OSTI Identifier:: 1281586

DOI:: https://doi.org/10.17188/1281586

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                    The Materials Project. Materials Data on Rb5Mo18S19 by Materials Project.  United States: N. p., 2013. 
        Web.  doi:10.17188/1281586.

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                    The Materials Project. Materials Data on Rb5Mo18S19 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281586

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                    The Materials Project. 2013.  
"Materials Data on Rb5Mo18S19 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281586.  https://www.osti.gov/servlets/purl/1281586. Pub date:Fri Oct 04 00:00:00 EDT 2013

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@article{osti_1281586,

  title        = {Materials Data on Rb5Mo18S19 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb5Mo18S19 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are five inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven S atoms. There are a spread of Rb–S bond distances ranging from 3.41–3.55 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine S atoms. There are a spread of Rb–S bond distances ranging from 3.40–3.81 Å. In the third Rb site, Rb is bonded in a 9-coordinate geometry to nine S atoms. There are a spread of Rb–S bond distances ranging from 3.46–3.68 Å. In the fourth Rb site, Rb is bonded in a 9-coordinate geometry to nine S atoms. There are a spread of Rb–S bond distances ranging from 3.49–3.61 Å. In the fifth Rb site, Rb is bonded in a 9-coordinate geometry to nine S atoms. There are a spread of Rb–S bond distances ranging from 3.48–3.68 Å. There are six inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.49–2.60 Å. In the second Mo site, Mo is bonded to five S atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.63 Å. In the third Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.46–2.61 Å. In the fourth Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.49–2.61 Å. In the fifth Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.49–2.61 Å. In the sixth Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.50–2.61 Å. There are seven inequivalent S sites. In the first S site, S is bonded in a 7-coordinate geometry to three Rb and four Mo atoms. In the second S site, S is bonded in a distorted pentagonal planar geometry to one Rb and four Mo atoms. In the third S site, S is bonded in a 6-coordinate geometry to two Rb and four Mo atoms. In the fourth S site, S is bonded in a 7-coordinate geometry to three Rb and four Mo atoms. In the fifth S site, S is bonded in a 4-coordinate geometry to one Rb and three equivalent Mo atoms. In the sixth S site, S is bonded in a 6-coordinate geometry to two Rb and four Mo atoms. In the seventh S site, S is bonded in a 7-coordinate geometry to three Rb and four Mo atoms.},

  doi          = {10.17188/1281586},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Oct 04 00:00:00 EDT 2013},

  month        = {Fri Oct 04 00:00:00 EDT 2013}

}

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DOI: https://doi.org/10.17188/1281586

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