Materials Data on Ni10SbP3 by Materials Project

doi:10.17188/1746403

Title: Materials Data on Ni10SbP3 by Materials Project

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Abstract

Ni10SbP3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are seven inequivalent Ni+1.20+ sites. In the first Ni+1.20+ site, Ni+1.20+ is bonded in a distorted bent 150 degrees geometry to two equivalent Sb3- and two equivalent P3- atoms. Both Ni–Sb bond lengths are 2.88 Å. Both Ni–P bond lengths are 2.25 Å. In the second Ni+1.20+ site, Ni+1.20+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All Ni–P bond lengths are 2.29 Å. In the third Ni+1.20+ site, Ni+1.20+ is bonded to one Sb3- and three P3- atoms to form a mixture of distorted corner and edge-sharing NiSbP3 tetrahedra. The Ni–Sb bond length is 2.60 Å. There are two shorter (2.20 Å) and one longer (2.31 Å) Ni–P bond lengths. In the fourth Ni+1.20+ site, Ni+1.20+ is bonded to one Sb3- and three equivalent P3- atoms to form a mixture of corner and edge-sharing NiSbP3 tetrahedra. The Ni–Sb bond length is 2.53 Å. All Ni–P bond lengths are 2.40 Å. In the fifth Ni+1.20+ site, Ni+1.20+ is bonded to one Sb3- and three P3- atoms to form a mixture of corner and edge-sharing NiSbP3 tetrahedra. The Ni–Sb bond length is 2.59 Å.more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1210058

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; Ni10SbP3; Ni-P-Sb

OSTI Identifier:: 1746403

DOI:: https://doi.org/10.17188/1746403

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                    The Materials Project. Materials Data on Ni10SbP3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746403.

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                    The Materials Project. Materials Data on Ni10SbP3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746403

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                    The Materials Project. 2020.  
"Materials Data on Ni10SbP3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746403.  https://www.osti.gov/servlets/purl/1746403. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1746403,

  title        = {Materials Data on Ni10SbP3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni10SbP3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are seven inequivalent Ni+1.20+ sites. In the first Ni+1.20+ site, Ni+1.20+ is bonded in a distorted bent 150 degrees geometry to two equivalent Sb3- and two equivalent P3- atoms. Both Ni–Sb bond lengths are 2.88 Å. Both Ni–P bond lengths are 2.25 Å. In the second Ni+1.20+ site, Ni+1.20+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All Ni–P bond lengths are 2.29 Å. In the third Ni+1.20+ site, Ni+1.20+ is bonded to one Sb3- and three P3- atoms to form a mixture of distorted corner and edge-sharing NiSbP3 tetrahedra. The Ni–Sb bond length is 2.60 Å. There are two shorter (2.20 Å) and one longer (2.31 Å) Ni–P bond lengths. In the fourth Ni+1.20+ site, Ni+1.20+ is bonded to one Sb3- and three equivalent P3- atoms to form a mixture of corner and edge-sharing NiSbP3 tetrahedra. The Ni–Sb bond length is 2.53 Å. All Ni–P bond lengths are 2.40 Å. In the fifth Ni+1.20+ site, Ni+1.20+ is bonded to one Sb3- and three P3- atoms to form a mixture of corner and edge-sharing NiSbP3 tetrahedra. The Ni–Sb bond length is 2.59 Å. There are two shorter (2.27 Å) and one longer (2.32 Å) Ni–P bond lengths. In the sixth Ni+1.20+ site, Ni+1.20+ is bonded to one Sb3- and three equivalent P3- atoms to form a mixture of corner and edge-sharing NiSbP3 tetrahedra. The Ni–Sb bond length is 2.43 Å. All Ni–P bond lengths are 2.36 Å. In the seventh Ni+1.20+ site, Ni+1.20+ is bonded in a 2-coordinate geometry to two Sb3- and two equivalent P3- atoms. There are one shorter (2.63 Å) and one longer (3.04 Å) Ni–Sb bond lengths. Both Ni–P bond lengths are 2.29 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a cuboctahedral geometry to twelve Ni+1.20+ atoms. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to fourteen Ni+1.20+ atoms. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to eight Ni+1.20+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to nine Ni+1.20+ atoms.},

  doi          = {10.17188/1746403},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1746403

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