Materials Data on Ti2SbP by Materials Project

doi:10.17188/1263160

Title: Materials Data on Ti2SbP by Materials Project

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Abstract

Ti2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti3+ is bonded to three equivalent Sb3- and three equivalent P3- atoms to form a mixture of edge, corner, and face-sharing TiSb3P3 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. All Ti–Sb bond lengths are 2.83 Å. All Ti–P bond lengths are 2.45 Å. Sb3- is bonded to six equivalent Ti3+ atoms to form distorted SbTi6 pentagonal pyramids that share corners with six equivalent PTi6 octahedra, edges with six equivalent PTi6 octahedra, and edges with six equivalent SbTi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. P3- is bonded to six equivalent Ti3+ atoms to form PTi6 octahedra that share corners with six equivalent SbTi6 pentagonal pyramids, edges with six equivalent PTi6 octahedra, and edges with six equivalent SbTi6 pentagonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-5244

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; Ti2SbP; P-Sb-Ti

OSTI Identifier:: 1263160

DOI:: https://doi.org/10.17188/1263160

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                    The Materials Project. Materials Data on Ti2SbP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263160.

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                    The Materials Project. Materials Data on Ti2SbP by Materials Project.  United States.  doi:https://doi.org/10.17188/1263160

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                    The Materials Project. 2020.  
"Materials Data on Ti2SbP by Materials Project".  United States.  doi:https://doi.org/10.17188/1263160.  https://www.osti.gov/servlets/purl/1263160. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1263160,

  title        = {Materials Data on Ti2SbP by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti3+ is bonded to three equivalent Sb3- and three equivalent P3- atoms to form a mixture of edge, corner, and face-sharing TiSb3P3 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. All Ti–Sb bond lengths are 2.83 Å. All Ti–P bond lengths are 2.45 Å. Sb3- is bonded to six equivalent Ti3+ atoms to form distorted SbTi6 pentagonal pyramids that share corners with six equivalent PTi6 octahedra, edges with six equivalent PTi6 octahedra, and edges with six equivalent SbTi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. P3- is bonded to six equivalent Ti3+ atoms to form PTi6 octahedra that share corners with six equivalent SbTi6 pentagonal pyramids, edges with six equivalent PTi6 octahedra, and edges with six equivalent SbTi6 pentagonal pyramids.},

  doi          = {10.17188/1263160},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1263160

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