Materials Data on K2Cr2NiO10 by Materials Project

doi:10.17188/1715304

Title: Materials Data on K2Cr2NiO10 by Materials Project

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Abstract

K2Cr2NiO10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.73–3.21 Å. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with two equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Cr–O bond distances ranging from 1.63–1.72 Å. Ni is bonded to six O atoms to form NiO6 octahedra that share corners with four equivalent CrO4 tetrahedra. There are a spread of Ni–O bond distances ranging from 1.74–2.03 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent K, one Cr, and one Ni atom. In the second O site, O is bonded in a 3-coordinate geometry to one K, one Cr, and one Ni atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Cr atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Cr atom. In the fifth Omore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 18 00:00:00 EDT 2018

Other Number(s):: mp-1103927

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; K2Cr2NiO10; Cr-K-Ni-O

OSTI Identifier:: 1715304

DOI:: https://doi.org/10.17188/1715304

Citation Formats


                    The Materials Project. Materials Data on K2Cr2NiO10 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1715304.

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                    The Materials Project. Materials Data on K2Cr2NiO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1715304

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                    The Materials Project. 2018.  
"Materials Data on K2Cr2NiO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1715304.  https://www.osti.gov/servlets/purl/1715304. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1715304,

  title        = {Materials Data on K2Cr2NiO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Cr2NiO10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.73–3.21 Å. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with two equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Cr–O bond distances ranging from 1.63–1.72 Å. Ni is bonded to six O atoms to form NiO6 octahedra that share corners with four equivalent CrO4 tetrahedra. There are a spread of Ni–O bond distances ranging from 1.74–2.03 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent K, one Cr, and one Ni atom. In the second O site, O is bonded in a 3-coordinate geometry to one K, one Cr, and one Ni atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Cr atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Cr atom. In the fifth O site, O is bonded in a single-bond geometry to one K and one Ni atom.},

  doi          = {10.17188/1715304},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 18 00:00:00 EDT 2018},

  month        = {Wed Jul 18 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1715304

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