Materials Data on H6PtN2ClO5 by Materials Project

doi:10.17188/1286158

Title: Materials Data on H6PtN2ClO5 by Materials Project

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Abstract

PtN2H6OClO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight ClO4 clusters and four PtN2H6O clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms. In each PtN2H6O cluster, there are two inequivalent Pt5+ sites. In the first Pt5+ site, Pt5+ is bonded in a rectangular see-saw-like geometry to two N and two O2- atoms. Both Pt–N bond lengths are 2.07 Å. There is one shorter (1.96 Å) and one longer (1.97 Å) Pt–O bond length. In the second Pt5+ site, Pt5+ is bonded in a rectangular see-saw-like geometry tomore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-706295

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; H6PtN2ClO5; Cl-H-N-O-Pt

OSTI Identifier:: 1286158

DOI:: https://doi.org/10.17188/1286158

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                    The Materials Project. Materials Data on H6PtN2ClO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286158.

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                    The Materials Project. Materials Data on H6PtN2ClO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286158

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                    The Materials Project. 2020.  
"Materials Data on H6PtN2ClO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286158.  https://www.osti.gov/servlets/purl/1286158. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1286158,

  title        = {Materials Data on H6PtN2ClO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PtN2H6OClO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight ClO4 clusters and four PtN2H6O clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms. In each PtN2H6O cluster, there are two inequivalent Pt5+ sites. In the first Pt5+ site, Pt5+ is bonded in a rectangular see-saw-like geometry to two N and two O2- atoms. Both Pt–N bond lengths are 2.07 Å. There is one shorter (1.96 Å) and one longer (1.97 Å) Pt–O bond length. In the second Pt5+ site, Pt5+ is bonded in a rectangular see-saw-like geometry to two N and two O2- atoms. Both Pt–N bond lengths are 2.07 Å. There is one shorter (1.96 Å) and one longer (1.97 Å) Pt–O bond length. There are four inequivalent N sites. In the first N site, N is bonded in a trigonal non-coplanar geometry to one Pt5+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the second N site, N is bonded in a trigonal non-coplanar geometry to one Pt5+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the third N site, N is bonded in a trigonal non-coplanar geometry to one Pt5+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. In the fourth N site, N is bonded in a trigonal non-coplanar geometry to one Pt5+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two Pt5+ atoms. In the second O2- site, O2- is bonded in an L-shaped geometry to two Pt5+ atoms.},

  doi          = {10.17188/1286158},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1286158

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