Materials Data on LaCo8P5 by Materials Project

doi:10.17188/1262044

Title: Materials Data on LaCo8P5 by Materials Project

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Abstract

LaCo8P5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight P3- atoms. There are four shorter (3.09 Å) and four longer (3.16 Å) La–P bond lengths. There are five inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.15–2.23 Å. In the second Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.17–2.25 Å. In the third Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.19–2.51 Å. In the fourth Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are one shorter (2.17 Å) and four longer (2.32 Å) Co–P bond lengths. In the fifth Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are two shorter (2.28 Å) andmore »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-504771

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; LaCo8P5; Co-La-P

OSTI Identifier:: 1262044

DOI:: https://doi.org/10.17188/1262044

Citation Formats


                    The Materials Project. Materials Data on LaCo8P5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262044.

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                    The Materials Project. Materials Data on LaCo8P5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262044

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                    The Materials Project. 2020.  
"Materials Data on LaCo8P5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262044.  https://www.osti.gov/servlets/purl/1262044. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1262044,

  title        = {Materials Data on LaCo8P5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaCo8P5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight P3- atoms. There are four shorter (3.09 Å) and four longer (3.16 Å) La–P bond lengths. There are five inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.15–2.23 Å. In the second Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.17–2.25 Å. In the third Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Co–P bond distances ranging from 2.19–2.51 Å. In the fourth Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are one shorter (2.17 Å) and four longer (2.32 Å) Co–P bond lengths. In the fifth Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.33 Å) Co–P bond lengths. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 6-coordinate geometry to two equivalent La3+ and six Co+1.50+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent La3+ and seven Co+1.50+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to nine Co+1.50+ atoms.},

  doi          = {10.17188/1262044},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262044

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