Materials Data on KSr3 by Materials Project

doi:10.17188/1314625

Title: Materials Data on KSr3 by Materials Project

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Abstract

KSr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded to twelve Sr atoms to form KSr12 cuboctahedra that share corners with four equivalent KSr12 cuboctahedra, corners with eight equivalent SrK4Sr8 cuboctahedra, edges with eight equivalent KSr12 cuboctahedra, edges with sixteen equivalent SrK4Sr8 cuboctahedra, faces with four equivalent KSr12 cuboctahedra, and faces with fourteen SrK4Sr8 cuboctahedra. There are four shorter (4.29 Å) and eight longer (4.39 Å) K–Sr bond lengths. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded to four equivalent K and eight Sr atoms to form SrK4Sr8 cuboctahedra that share corners with twelve equivalent SrK4Sr8 cuboctahedra, edges with eight equivalent KSr12 cuboctahedra, edges with sixteen SrK4Sr8 cuboctahedra, faces with four equivalent KSr12 cuboctahedra, and faces with fourteen SrK4Sr8 cuboctahedra. There are four shorter (4.29 Å) and four longer (4.39 Å) Sr–Sr bond lengths. In the second Sr site, Sr is bonded to four equivalent K and eight equivalent Sr atoms to form SrK4Sr8 cuboctahedra that share corners with four equivalent SrK4Sr8 cuboctahedra, corners with eight equivalent KSr12 cuboctahedra, edges with twenty-four SrK4Sr8 cuboctahedra, faces with six equivalent KSr12 cuboctahedra, and faces withmore » twelve SrK4Sr8 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-974738

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; KSr3; K-Sr

OSTI Identifier:: 1314625

DOI:: https://doi.org/10.17188/1314625

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                    The Materials Project. Materials Data on KSr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314625.

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                    The Materials Project. Materials Data on KSr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314625

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                    The Materials Project. 2020.  
"Materials Data on KSr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314625.  https://www.osti.gov/servlets/purl/1314625. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1314625,

  title        = {Materials Data on KSr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KSr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded to twelve Sr atoms to form KSr12 cuboctahedra that share corners with four equivalent KSr12 cuboctahedra, corners with eight equivalent SrK4Sr8 cuboctahedra, edges with eight equivalent KSr12 cuboctahedra, edges with sixteen equivalent SrK4Sr8 cuboctahedra, faces with four equivalent KSr12 cuboctahedra, and faces with fourteen SrK4Sr8 cuboctahedra. There are four shorter (4.29 Å) and eight longer (4.39 Å) K–Sr bond lengths. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded to four equivalent K and eight Sr atoms to form SrK4Sr8 cuboctahedra that share corners with twelve equivalent SrK4Sr8 cuboctahedra, edges with eight equivalent KSr12 cuboctahedra, edges with sixteen SrK4Sr8 cuboctahedra, faces with four equivalent KSr12 cuboctahedra, and faces with fourteen SrK4Sr8 cuboctahedra. There are four shorter (4.29 Å) and four longer (4.39 Å) Sr–Sr bond lengths. In the second Sr site, Sr is bonded to four equivalent K and eight equivalent Sr atoms to form SrK4Sr8 cuboctahedra that share corners with four equivalent SrK4Sr8 cuboctahedra, corners with eight equivalent KSr12 cuboctahedra, edges with twenty-four SrK4Sr8 cuboctahedra, faces with six equivalent KSr12 cuboctahedra, and faces with twelve SrK4Sr8 cuboctahedra.},

  doi          = {10.17188/1314625},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314625

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