Materials Data on K3TaO8 by Materials Project

doi:10.17188/1208339

Title: Materials Data on K3TaO8 by Materials Project

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Abstract

K3TaO8 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four equivalent O atoms. All K–O bond lengths are 2.72 Å. In the second K site, K is bonded to eight O atoms to form KO8 hexagonal bipyramids that share corners with four equivalent TaO8 hexagonal bipyramids, corners with four equivalent OK3TaO trigonal bipyramids, and edges with two equivalent TaO8 hexagonal bipyramids. There are four shorter (2.82 Å) and four longer (2.88 Å) K–O bond lengths. Ta is bonded to eight O atoms to form distorted TaO8 hexagonal bipyramids that share corners with four equivalent KO8 hexagonal bipyramids, corners with four equivalent OK3TaO trigonal bipyramids, and edges with two equivalent KO8 hexagonal bipyramids. There are four shorter (2.03 Å) and four longer (2.08 Å) Ta–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to three K, one Ta, and one O atom to form distorted OK3TaO trigonal bipyramids that share a cornercorner with one KO8 hexagonal bipyramid, a cornercorner with one TaO8 hexagonal bipyramid, corners with ten equivalent OK3TaO trigonal bipyramids,more »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-4690

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; K3TaO8; K-O-Ta

OSTI Identifier:: 1208339

DOI:: https://doi.org/10.17188/1208339

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                    The Materials Project. Materials Data on K3TaO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208339.

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                    The Materials Project. Materials Data on K3TaO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208339

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                    The Materials Project. 2020.  
"Materials Data on K3TaO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208339.  https://www.osti.gov/servlets/purl/1208339. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1208339,

  title        = {Materials Data on K3TaO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3TaO8 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four equivalent O atoms. All K–O bond lengths are 2.72 Å. In the second K site, K is bonded to eight O atoms to form KO8 hexagonal bipyramids that share corners with four equivalent TaO8 hexagonal bipyramids, corners with four equivalent OK3TaO trigonal bipyramids, and edges with two equivalent TaO8 hexagonal bipyramids. There are four shorter (2.82 Å) and four longer (2.88 Å) K–O bond lengths. Ta is bonded to eight O atoms to form distorted TaO8 hexagonal bipyramids that share corners with four equivalent KO8 hexagonal bipyramids, corners with four equivalent OK3TaO trigonal bipyramids, and edges with two equivalent KO8 hexagonal bipyramids. There are four shorter (2.03 Å) and four longer (2.08 Å) Ta–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to three K, one Ta, and one O atom to form distorted OK3TaO trigonal bipyramids that share a cornercorner with one KO8 hexagonal bipyramid, a cornercorner with one TaO8 hexagonal bipyramid, corners with ten equivalent OK3TaO trigonal bipyramids, and an edgeedge with one OK3TaO trigonal bipyramid. The O–O bond length is 1.51 Å. In the second O site, O is bonded in a 7-coordinate geometry to one K, one Ta, and one O atom.},

  doi          = {10.17188/1208339},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1208339

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