Materials Data on KDyI3 by Materials Project

doi:10.17188/1695337

Title: Materials Data on KDyI3 by Materials Project

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Abstract

KDyI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to eight I atoms. There are six shorter (3.60 Å) and two longer (4.03 Å) K–I bond lengths. Dy is bonded to six I atoms to form a mixture of corner and edge-sharing DyI6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are four shorter (3.11 Å) and two longer (3.13 Å) Dy–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent K and two equivalent Dy atoms. In the second I site, I is bonded to two equivalent K and two equivalent Dy atoms to form distorted corner-sharing IK2Dy2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1206220

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; KDyI3; Dy-I-K

OSTI Identifier:: 1695337

DOI:: https://doi.org/10.17188/1695337

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                    The Materials Project. Materials Data on KDyI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695337.

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                    The Materials Project. Materials Data on KDyI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695337

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                    The Materials Project. 2020.  
"Materials Data on KDyI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695337.  https://www.osti.gov/servlets/purl/1695337. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1695337,

  title        = {Materials Data on KDyI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KDyI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to eight I atoms. There are six shorter (3.60 Å) and two longer (4.03 Å) K–I bond lengths. Dy is bonded to six I atoms to form a mixture of corner and edge-sharing DyI6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are four shorter (3.11 Å) and two longer (3.13 Å) Dy–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent K and two equivalent Dy atoms. In the second I site, I is bonded to two equivalent K and two equivalent Dy atoms to form distorted corner-sharing IK2Dy2 tetrahedra.},

  doi          = {10.17188/1695337},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1695337

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