Materials Data on Te16Rh11 by Materials Project

doi:10.17188/1284024

Title: Materials Data on Te16Rh11 by Materials Project

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Abstract

Rh11Te16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 7-coordinate geometry to two Rh and five Te atoms. There are one shorter (2.84 Å) and one longer (2.85 Å) Rh–Rh bond lengths. There are a spread of Rh–Te bond distances ranging from 2.65–2.89 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Te atoms. There are a spread of Rh–Te bond distances ranging from 2.57–2.79 Å. In the third Rh site, Rh is bonded to six Te atoms to form a mixture of distorted corner and face-sharing RhTe6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Rh–Te bond distances ranging from 2.62–2.85 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to one Rh and four Te atoms. There are a spread of Rh–Te bond distances ranging from 2.58–2.73 Å. In the fifth Rh site, Rh is bonded to six Te atoms to form a mixture of distorted corner, edge, and face-sharing RhTe6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread ofmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-684869

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; Te16Rh11; Rh-Te

OSTI Identifier:: 1284024

DOI:: https://doi.org/10.17188/1284024

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                    The Materials Project. Materials Data on Te16Rh11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284024.

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                    The Materials Project. Materials Data on Te16Rh11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284024

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                    The Materials Project. 2020.  
"Materials Data on Te16Rh11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284024.  https://www.osti.gov/servlets/purl/1284024. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1284024,

  title        = {Materials Data on Te16Rh11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rh11Te16 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 7-coordinate geometry to two Rh and five Te atoms. There are one shorter (2.84 Å) and one longer (2.85 Å) Rh–Rh bond lengths. There are a spread of Rh–Te bond distances ranging from 2.65–2.89 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Te atoms. There are a spread of Rh–Te bond distances ranging from 2.57–2.79 Å. In the third Rh site, Rh is bonded to six Te atoms to form a mixture of distorted corner and face-sharing RhTe6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Rh–Te bond distances ranging from 2.62–2.85 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to one Rh and four Te atoms. There are a spread of Rh–Te bond distances ranging from 2.58–2.73 Å. In the fifth Rh site, Rh is bonded to six Te atoms to form a mixture of distorted corner, edge, and face-sharing RhTe6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Rh–Te bond distances ranging from 2.64–3.04 Å. In the sixth Rh site, Rh is bonded in a 5-coordinate geometry to one Rh and five Te atoms. There are a spread of Rh–Te bond distances ranging from 2.61–2.81 Å. There are eight inequivalent Te sites. In the first Te site, Te is bonded in a distorted water-like geometry to two Rh atoms. In the second Te site, Te is bonded in a 5-coordinate geometry to five Rh atoms. In the third Te site, Te is bonded in a 3-coordinate geometry to three Rh atoms. In the fourth Te site, Te is bonded in a distorted T-shaped geometry to three Rh atoms. In the fifth Te site, Te is bonded in a 4-coordinate geometry to four Rh atoms. In the sixth Te site, Te is bonded in a 3-coordinate geometry to three Rh atoms. In the seventh Te site, Te is bonded in a 4-coordinate geometry to four Rh atoms. In the eighth Te site, Te is bonded to four Rh atoms to form a mixture of distorted corner and edge-sharing TeRh4 trigonal pyramids.},

  doi          = {10.17188/1284024},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1284024

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