Materials Data on Na3H6Rh by Materials Project

doi:10.17188/1200219

Title: Materials Data on Na3H6Rh by Materials Project

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Abstract

Na3RhH6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Na–H bond distances ranging from 2.16–2.64 Å. In the second Na1+ site, Na1+ is bonded in a 10-coordinate geometry to ten H1- atoms. There are a spread of Na–H bond distances ranging from 2.24–2.65 Å. In the third Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Na–H bond distances ranging from 2.40–2.50 Å. Rh3+ is bonded in an octahedral geometry to six H1- atoms. There are a spread of Rh–H bond distances ranging from 1.66–1.69 Å. There are four inequivalent H1- sites. In the first H1- site, H1- is bonded in a 5-coordinate geometry to four Na1+ and one Rh3+ atom. In the second H1- site, H1- is bonded in a 5-coordinate geometry to four Na1+ and one Rh3+ atom. In the third H1- site, H1- is bonded to four Na1+ and one Rh3+ atom to form a mixture of distorted corner, edge, and face-sharing HNa4Rh square pyramids. In the fourthmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-24747

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; Na3H6Rh; H-Na-Rh

OSTI Identifier:: 1200219

DOI:: https://doi.org/10.17188/1200219

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                    The Materials Project. Materials Data on Na3H6Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200219.

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                    The Materials Project. Materials Data on Na3H6Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1200219

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                    The Materials Project. 2020.  
"Materials Data on Na3H6Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1200219.  https://www.osti.gov/servlets/purl/1200219. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1200219,

  title        = {Materials Data on Na3H6Rh by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3RhH6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Na–H bond distances ranging from 2.16–2.64 Å. In the second Na1+ site, Na1+ is bonded in a 10-coordinate geometry to ten H1- atoms. There are a spread of Na–H bond distances ranging from 2.24–2.65 Å. In the third Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Na–H bond distances ranging from 2.40–2.50 Å. Rh3+ is bonded in an octahedral geometry to six H1- atoms. There are a spread of Rh–H bond distances ranging from 1.66–1.69 Å. There are four inequivalent H1- sites. In the first H1- site, H1- is bonded in a 5-coordinate geometry to four Na1+ and one Rh3+ atom. In the second H1- site, H1- is bonded in a 5-coordinate geometry to four Na1+ and one Rh3+ atom. In the third H1- site, H1- is bonded to four Na1+ and one Rh3+ atom to form a mixture of distorted corner, edge, and face-sharing HNa4Rh square pyramids. In the fourth H1- site, H1- is bonded in a 5-coordinate geometry to four Na1+ and one Rh3+ atom.},

  doi          = {10.17188/1200219},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1200219

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