Materials Data on La6Ni6P17 by Materials Project

doi:10.17188/1192627

Title: Materials Data on La6Ni6P17 by Materials Project

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Abstract

La6Ni6P17 crystallizes in the cubic I-43m space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine P+1.59- atoms. There are a spread of La–P bond distances ranging from 2.95–3.24 Å. Ni+1.50+ is bonded in a square co-planar geometry to four equivalent P+1.59- atoms. All Ni–P bond lengths are 2.22 Å. There are three inequivalent P+1.59- sites. In the first P+1.59- site, P+1.59- is bonded in an octahedral geometry to six equivalent La3+ atoms. In the second P+1.59- site, P+1.59- is bonded in a 6-coordinate geometry to three equivalent La3+ and three equivalent P+1.59- atoms. All P–P bond lengths are 2.24 Å. In the third P+1.59- site, P+1.59- is bonded in a 2-coordinate geometry to three equivalent La3+, two equivalent Ni+1.50+, and one P+1.59- atom.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-17684

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; La6Ni6P17; La-Ni-P

OSTI Identifier:: 1192627

DOI:: https://doi.org/10.17188/1192627

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                    The Materials Project. Materials Data on La6Ni6P17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192627.

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                    The Materials Project. Materials Data on La6Ni6P17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192627

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                    The Materials Project. 2020.  
"Materials Data on La6Ni6P17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192627.  https://www.osti.gov/servlets/purl/1192627. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1192627,

  title        = {Materials Data on La6Ni6P17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La6Ni6P17 crystallizes in the cubic I-43m space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine P+1.59- atoms. There are a spread of La–P bond distances ranging from 2.95–3.24 Å. Ni+1.50+ is bonded in a square co-planar geometry to four equivalent P+1.59- atoms. All Ni–P bond lengths are 2.22 Å. There are three inequivalent P+1.59- sites. In the first P+1.59- site, P+1.59- is bonded in an octahedral geometry to six equivalent La3+ atoms. In the second P+1.59- site, P+1.59- is bonded in a 6-coordinate geometry to three equivalent La3+ and three equivalent P+1.59- atoms. All P–P bond lengths are 2.24 Å. In the third P+1.59- site, P+1.59- is bonded in a 2-coordinate geometry to three equivalent La3+, two equivalent Ni+1.50+, and one P+1.59- atom.},

  doi          = {10.17188/1192627},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192627

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