Materials Data on TiCrP by Materials Project

doi:10.17188/1188085

Title: Materials Data on TiCrP by Materials Project

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Abstract

TiCrP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Cr and five P atoms. There are two shorter (2.72 Å) and four longer (2.79 Å) Ti–Cr bond lengths. There are four shorter (2.53 Å) and one longer (2.60 Å) Ti–P bond lengths. Cr is bonded in a 4-coordinate geometry to six equivalent Ti and four P atoms. There are two shorter (2.30 Å) and two longer (2.43 Å) Cr–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Cr atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Cr atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-11580

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; TiCrP; Cr-P-Ti

OSTI Identifier:: 1188085

DOI:: https://doi.org/10.17188/1188085

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                    The Materials Project. Materials Data on TiCrP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188085.

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                    The Materials Project. Materials Data on TiCrP by Materials Project.  United States.  doi:https://doi.org/10.17188/1188085

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                    The Materials Project. 2020.  
"Materials Data on TiCrP by Materials Project".  United States.  doi:https://doi.org/10.17188/1188085.  https://www.osti.gov/servlets/purl/1188085. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1188085,

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

  author       = {The Materials Project},

  abstractNote = {TiCrP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Cr and five P atoms. There are two shorter (2.72 Å) and four longer (2.79 Å) Ti–Cr bond lengths. There are four shorter (2.53 Å) and one longer (2.60 Å) Ti–P bond lengths. Cr is bonded in a 4-coordinate geometry to six equivalent Ti and four P atoms. There are two shorter (2.30 Å) and two longer (2.43 Å) Cr–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Cr atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Cr atoms.},

  doi          = {10.17188/1188085},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188085

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