Materials Data on P4Os by Materials Project

doi:10.17188/1728979

Title: Materials Data on P4Os by Materials Project

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Abstract

OsP4 is Hausmannite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Os4+ sites. In the first Os4+ site, Os4+ is bonded to six P1- atoms to form OsP6 octahedra that share corners with four equivalent OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 53–56°. There are a spread of Os–P bond distances ranging from 2.37–2.41 Å. In the second Os4+ site, Os4+ is bonded to six P1- atoms to form OsP6 octahedra that share corners with two equivalent OsP6 octahedra, corners with fourteen PP2Os2 tetrahedra, and an edgeedge with one OsP6 octahedra. The corner-sharing octahedra tilt angles range from 53–56°. There are a spread of Os–P bond distances ranging from 2.35–2.43 Å. There are six inequivalent P1- sites. In the first P1- site, P1- is bonded to two Os4+ and two P1- atoms to form PP2Os2 tetrahedra that share corners with two equivalent OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 54–64°. There are one shorter (2.22 Å) and one longer (2.24 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1103842

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; P4Os; Os-P

OSTI Identifier:: 1728979

DOI:: https://doi.org/10.17188/1728979

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                    The Materials Project. Materials Data on P4Os by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728979.

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                    The Materials Project. Materials Data on P4Os by Materials Project.  United States.  doi:https://doi.org/10.17188/1728979

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                    The Materials Project. 2020.  
"Materials Data on P4Os by Materials Project".  United States.  doi:https://doi.org/10.17188/1728979.  https://www.osti.gov/servlets/purl/1728979. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1728979,

  title        = {Materials Data on P4Os by Materials Project},

  author       = {The Materials Project},

  abstractNote = {OsP4 is Hausmannite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Os4+ sites. In the first Os4+ site, Os4+ is bonded to six P1- atoms to form OsP6 octahedra that share corners with four equivalent OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 53–56°. There are a spread of Os–P bond distances ranging from 2.37–2.41 Å. In the second Os4+ site, Os4+ is bonded to six P1- atoms to form OsP6 octahedra that share corners with two equivalent OsP6 octahedra, corners with fourteen PP2Os2 tetrahedra, and an edgeedge with one OsP6 octahedra. The corner-sharing octahedra tilt angles range from 53–56°. There are a spread of Os–P bond distances ranging from 2.35–2.43 Å. There are six inequivalent P1- sites. In the first P1- site, P1- is bonded to two Os4+ and two P1- atoms to form PP2Os2 tetrahedra that share corners with two equivalent OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 54–64°. There are one shorter (2.22 Å) and one longer (2.24 Å) P–P bond lengths. In the second P1- site, P1- is bonded to two equivalent Os4+ and two P1- atoms to form PP2Os2 tetrahedra that share corners with three OsP6 octahedra, corners with eleven PP2Os2 tetrahedra, and an edgeedge with one PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 60–71°. There are one shorter (2.17 Å) and one longer (2.22 Å) P–P bond lengths. In the third P1- site, P1- is bonded to two Os4+ and two P1- atoms to form PP2Os2 tetrahedra that share corners with two OsP6 octahedra and corners with fourteen PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 65–71°. There are one shorter (2.19 Å) and one longer (2.26 Å) P–P bond lengths. In the fourth P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with five OsP6 octahedra and corners with nine PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 51–79°. The P–P bond length is 2.33 Å. In the fifth P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with four OsP6 octahedra and corners with ten PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 44–78°. There are one shorter (2.21 Å) and one longer (2.33 Å) P–P bond lengths. In the sixth P1- site, P1- is bonded to one Os4+ and three P1- atoms to form PP3Os tetrahedra that share corners with five OsP6 octahedra and corners with nine PP2Os2 tetrahedra. The corner-sharing octahedra tilt angles range from 60–80°.},

  doi          = {10.17188/1728979},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1728979

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