Materials Data on TiPOs by Materials Project

doi:10.17188/1691343

Title: Materials Data on TiPOs by Materials Project

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Abstract

TiOsP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti4+ is bonded in a 11-coordinate geometry to six equivalent Os1- and five P3- atoms. There are two shorter (2.79 Å) and four longer (2.93 Å) Ti–Os bond lengths. There are one shorter (2.60 Å) and four longer (2.65 Å) Ti–P bond lengths. Os1- is bonded in a 12-coordinate geometry to six equivalent Ti4+, two equivalent Os1-, and four P3- atoms. Both Os–Os bond lengths are 2.74 Å. There are two shorter (2.38 Å) and two longer (2.44 Å) Os–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Ti4+ and three equivalent Os1- atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Ti4+ and six equivalent Os1- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1095128

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; TiPOs; Os-P-Ti

OSTI Identifier:: 1691343

DOI:: https://doi.org/10.17188/1691343

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                    The Materials Project. Materials Data on TiPOs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1691343.

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                    The Materials Project. Materials Data on TiPOs by Materials Project.  United States.  doi:https://doi.org/10.17188/1691343

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                    The Materials Project. 2020.  
"Materials Data on TiPOs by Materials Project".  United States.  doi:https://doi.org/10.17188/1691343.  https://www.osti.gov/servlets/purl/1691343. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1691343,

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

  author       = {The Materials Project},

  abstractNote = {TiOsP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti4+ is bonded in a 11-coordinate geometry to six equivalent Os1- and five P3- atoms. There are two shorter (2.79 Å) and four longer (2.93 Å) Ti–Os bond lengths. There are one shorter (2.60 Å) and four longer (2.65 Å) Ti–P bond lengths. Os1- is bonded in a 12-coordinate geometry to six equivalent Ti4+, two equivalent Os1-, and four P3- atoms. Both Os–Os bond lengths are 2.74 Å. There are two shorter (2.38 Å) and two longer (2.44 Å) Os–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Ti4+ and three equivalent Os1- atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Ti4+ and six equivalent Os1- atoms.},

  doi          = {10.17188/1691343},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1691343

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