Materials Data on LaP7 by Materials Project

doi:10.17188/1195175

Title: Materials Data on LaP7 by Materials Project

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Abstract

LaP7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to ten P+0.43- atoms. There are a spread of La–P bond distances ranging from 3.08–3.25 Å. There are seven inequivalent P+0.43- sites. In the first P+0.43- site, P+0.43- is bonded to one La3+ and three P+0.43- atoms to form PLaP3 tetrahedra that share corners with ten PLaP3 tetrahedra and corners with two equivalent PLa2P2 trigonal pyramids. There are two shorter (2.23 Å) and one longer (2.26 Å) P–P bond lengths. In the second P+0.43- site, P+0.43- is bonded to one La3+ and three P+0.43- atoms to form PLaP3 tetrahedra that share corners with twelve PLaP3 tetrahedra and corners with two equivalent PLa2P2 trigonal pyramids. There are two shorter (2.20 Å) and one longer (2.22 Å) P–P bond lengths. In the third P+0.43- site, P+0.43- is bonded to one La3+ and three P+0.43- atoms to form PLaP3 tetrahedra that share corners with nine PLaP3 tetrahedra, corners with three equivalent PLa2P2 trigonal pyramids, and an edgeedge with one PLa2P2 tetrahedra. There are one shorter (2.18 Å) and one longer (2.20 Å) P–P bond lengths. In the fourth P+0.43- site, P+0.43- is bonded tomore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-200

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; LaP7; La-P

OSTI Identifier:: 1195175

DOI:: https://doi.org/10.17188/1195175

Citation Formats


                    The Materials Project. Materials Data on LaP7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195175.

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                    The Materials Project. Materials Data on LaP7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195175

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                    The Materials Project. 2020.  
"Materials Data on LaP7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195175.  https://www.osti.gov/servlets/purl/1195175. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1195175,

  title        = {Materials Data on LaP7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaP7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to ten P+0.43- atoms. There are a spread of La–P bond distances ranging from 3.08–3.25 Å. There are seven inequivalent P+0.43- sites. In the first P+0.43- site, P+0.43- is bonded to one La3+ and three P+0.43- atoms to form PLaP3 tetrahedra that share corners with ten PLaP3 tetrahedra and corners with two equivalent PLa2P2 trigonal pyramids. There are two shorter (2.23 Å) and one longer (2.26 Å) P–P bond lengths. In the second P+0.43- site, P+0.43- is bonded to one La3+ and three P+0.43- atoms to form PLaP3 tetrahedra that share corners with twelve PLaP3 tetrahedra and corners with two equivalent PLa2P2 trigonal pyramids. There are two shorter (2.20 Å) and one longer (2.22 Å) P–P bond lengths. In the third P+0.43- site, P+0.43- is bonded to one La3+ and three P+0.43- atoms to form PLaP3 tetrahedra that share corners with nine PLaP3 tetrahedra, corners with three equivalent PLa2P2 trigonal pyramids, and an edgeedge with one PLa2P2 tetrahedra. There are one shorter (2.18 Å) and one longer (2.20 Å) P–P bond lengths. In the fourth P+0.43- site, P+0.43- is bonded to two equivalent La3+ and two P+0.43- atoms to form PLa2P2 trigonal pyramids that share corners with sixteen PLaP3 tetrahedra, corners with two equivalent PLa2P2 trigonal pyramids, and edges with two PLa2P2 tetrahedra. The P–P bond length is 2.18 Å. In the fifth P+0.43- site, P+0.43- is bonded to two equivalent La3+ and two P+0.43- atoms to form PLa2P2 tetrahedra that share corners with fifteen PLaP3 tetrahedra, corners with three equivalent PLa2P2 trigonal pyramids, an edgeedge with one PLa2P2 tetrahedra, and an edgeedge with one PLa2P2 trigonal pyramid. In the sixth P+0.43- site, P+0.43- is bonded to one La3+ and three P+0.43- atoms to form PLaP3 tetrahedra that share corners with eleven PLaP3 tetrahedra and corners with three equivalent PLa2P2 trigonal pyramids. The P–P bond length is 2.21 Å. In the seventh P+0.43- site, P+0.43- is bonded to two equivalent La3+ and two P+0.43- atoms to form PLa2P2 tetrahedra that share corners with fifteen PLaP3 tetrahedra, corners with three equivalent PLa2P2 trigonal pyramids, an edgeedge with one PLaP3 tetrahedra, and an edgeedge with one PLa2P2 trigonal pyramid.},

  doi          = {10.17188/1195175},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1195175

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