Materials Data on K2Ce(PO4)2 by Materials Project

doi:10.17188/1271523

Title: Materials Data on K2Ce(PO4)2 by Materials Project

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Abstract

K2Ce(PO4)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. K1+ is bonded to four equivalent O2- atoms to form distorted KO4 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra and edges with two equivalent KO4 hexagonal bipyramids. All K–O bond lengths are 2.82 Å. Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.26 Å) and four longer (2.56 Å) Ce–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent KO4 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Ce4+, and one P5+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-560528

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; K2Ce(PO4)2; Ce-K-O-P

OSTI Identifier:: 1271523

DOI:: https://doi.org/10.17188/1271523

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                    The Materials Project. Materials Data on K2Ce(PO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271523.

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                    The Materials Project. Materials Data on K2Ce(PO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271523

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                    The Materials Project. 2020.  
"Materials Data on K2Ce(PO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271523.  https://www.osti.gov/servlets/purl/1271523. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1271523,

  title        = {Materials Data on K2Ce(PO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Ce(PO4)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. K1+ is bonded to four equivalent O2- atoms to form distorted KO4 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra and edges with two equivalent KO4 hexagonal bipyramids. All K–O bond lengths are 2.82 Å. Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.26 Å) and four longer (2.56 Å) Ce–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent KO4 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Ce4+, and one P5+ atom.},

  doi          = {10.17188/1271523},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1271523

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