Materials Data on K2LiAlP2 by Materials Project

doi:10.17188/1280493

Title: Materials Data on K2LiAlP2 by Materials Project

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Abstract

K2LiAlP2 is Matlockite-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded to five equivalent P3- atoms to form distorted KP5 trigonal bipyramids that share corners with six equivalent LiP4 tetrahedra, corners with six equivalent AlP4 tetrahedra, corners with four equivalent KP5 trigonal bipyramids, edges with two equivalent LiP4 tetrahedra, edges with two equivalent AlP4 tetrahedra, and edges with eight equivalent KP5 trigonal bipyramids. There are a spread of K–P bond distances ranging from 3.29–3.56 Å. Li1+ is bonded to four equivalent P3- atoms to form LiP4 tetrahedra that share corners with four equivalent AlP4 tetrahedra, corners with twelve equivalent KP5 trigonal bipyramids, edges with two equivalent LiP4 tetrahedra, edges with two equivalent AlP4 tetrahedra, and edges with four equivalent KP5 trigonal bipyramids. All Li–P bond lengths are 2.65 Å. Al3+ is bonded to four equivalent P3- atoms to form AlP4 tetrahedra that share corners with four equivalent LiP4 tetrahedra, corners with twelve equivalent KP5 trigonal bipyramids, edges with two equivalent LiP4 tetrahedra, edges with two equivalent AlP4 tetrahedra, and edges with four equivalent KP5 trigonal bipyramids. All Al–P bond lengths are 2.44 Å. P3- is bonded in a 9-coordinate geometry to fivemore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-6450

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; K2LiAlP2; Al-K-Li-P

OSTI Identifier:: 1280493

DOI:: https://doi.org/10.17188/1280493

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                    The Materials Project. Materials Data on K2LiAlP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280493.

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                    The Materials Project. Materials Data on K2LiAlP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280493

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                    The Materials Project. 2020.  
"Materials Data on K2LiAlP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280493.  https://www.osti.gov/servlets/purl/1280493. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1280493,

  title        = {Materials Data on K2LiAlP2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2LiAlP2 is Matlockite-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded to five equivalent P3- atoms to form distorted KP5 trigonal bipyramids that share corners with six equivalent LiP4 tetrahedra, corners with six equivalent AlP4 tetrahedra, corners with four equivalent KP5 trigonal bipyramids, edges with two equivalent LiP4 tetrahedra, edges with two equivalent AlP4 tetrahedra, and edges with eight equivalent KP5 trigonal bipyramids. There are a spread of K–P bond distances ranging from 3.29–3.56 Å. Li1+ is bonded to four equivalent P3- atoms to form LiP4 tetrahedra that share corners with four equivalent AlP4 tetrahedra, corners with twelve equivalent KP5 trigonal bipyramids, edges with two equivalent LiP4 tetrahedra, edges with two equivalent AlP4 tetrahedra, and edges with four equivalent KP5 trigonal bipyramids. All Li–P bond lengths are 2.65 Å. Al3+ is bonded to four equivalent P3- atoms to form AlP4 tetrahedra that share corners with four equivalent LiP4 tetrahedra, corners with twelve equivalent KP5 trigonal bipyramids, edges with two equivalent LiP4 tetrahedra, edges with two equivalent AlP4 tetrahedra, and edges with four equivalent KP5 trigonal bipyramids. All Al–P bond lengths are 2.44 Å. P3- is bonded in a 9-coordinate geometry to five equivalent K1+, two equivalent Li1+, and two equivalent Al3+ atoms.},

  doi          = {10.17188/1280493},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280493

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