Materials Data on La6P17Pd6 by Materials Project

doi:10.17188/1262046

Title: Materials Data on La6P17Pd6 by Materials Project

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Abstract

La6Pd6P17 crystallizes in the cubic I-43m space group. The structure is three-dimensional. La+2.50+ is bonded in a 7-coordinate geometry to nine P+1.59- atoms. There are a spread of La–P bond distances ranging from 3.00–3.45 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent P+1.59- atoms. All Pd–P bond lengths are 2.36 Å. There are three inequivalent P+1.59- sites. In the first P+1.59- site, P+1.59- is bonded in a 5-coordinate geometry to three equivalent La+2.50+, two equivalent Pd2+, and one P+1.59- atom. The P–P bond length is 2.22 Å. In the second P+1.59- site, P+1.59- is bonded in a 6-coordinate geometry to three equivalent La+2.50+ and three equivalent P+1.59- atoms. In the third P+1.59- site, P+1.59- is bonded in an octahedral geometry to six equivalent La+2.50+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-504775

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; La6P17Pd6; La-P-Pd

OSTI Identifier:: 1262046

DOI:: https://doi.org/10.17188/1262046

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                    The Materials Project. Materials Data on La6P17Pd6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262046.

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                    The Materials Project. Materials Data on La6P17Pd6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262046

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                    The Materials Project. 2020.  
"Materials Data on La6P17Pd6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262046.  https://www.osti.gov/servlets/purl/1262046. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1262046,

  title        = {Materials Data on La6P17Pd6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La6Pd6P17 crystallizes in the cubic I-43m space group. The structure is three-dimensional. La+2.50+ is bonded in a 7-coordinate geometry to nine P+1.59- atoms. There are a spread of La–P bond distances ranging from 3.00–3.45 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent P+1.59- atoms. All Pd–P bond lengths are 2.36 Å. There are three inequivalent P+1.59- sites. In the first P+1.59- site, P+1.59- is bonded in a 5-coordinate geometry to three equivalent La+2.50+, two equivalent Pd2+, and one P+1.59- atom. The P–P bond length is 2.22 Å. In the second P+1.59- site, P+1.59- is bonded in a 6-coordinate geometry to three equivalent La+2.50+ and three equivalent P+1.59- atoms. In the third P+1.59- site, P+1.59- is bonded in an octahedral geometry to six equivalent La+2.50+ atoms.},

  doi          = {10.17188/1262046},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262046

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