Materials Data on Ca3(GaPt)2 by Materials Project

doi:10.17188/1205692

Title: Materials Data on Ca3(GaPt)2 by Materials Project

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Abstract

Ca3(PtGa)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to four equivalent Pt and five Ga atoms. There are a spread of Ca–Pt bond distances ranging from 3.02–3.13 Å. There are a spread of Ca–Ga bond distances ranging from 3.11–3.51 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Ga atoms. All Ca–Pt bond lengths are 3.15 Å. There are two shorter (3.07 Å) and one longer (3.21 Å) Ca–Ga bond lengths. Pt is bonded in a 9-coordinate geometry to six Ca and three Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.56–2.65 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Ca and four equivalent Pt atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to seven Ca and two equivalent Pt atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-31479

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; Ca3(GaPt)2; Ca-Ga-Pt

OSTI Identifier:: 1205692

DOI:: https://doi.org/10.17188/1205692

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                    The Materials Project. Materials Data on Ca3(GaPt)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205692.

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                    The Materials Project. Materials Data on Ca3(GaPt)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205692

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                    The Materials Project. 2020.  
"Materials Data on Ca3(GaPt)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205692.  https://www.osti.gov/servlets/purl/1205692. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1205692,

  title        = {Materials Data on Ca3(GaPt)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca3(PtGa)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 6-coordinate geometry to four equivalent Pt and five Ga atoms. There are a spread of Ca–Pt bond distances ranging from 3.02–3.13 Å. There are a spread of Ca–Ga bond distances ranging from 3.11–3.51 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Ga atoms. All Ca–Pt bond lengths are 3.15 Å. There are two shorter (3.07 Å) and one longer (3.21 Å) Ca–Ga bond lengths. Pt is bonded in a 9-coordinate geometry to six Ca and three Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.56–2.65 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Ca and four equivalent Pt atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to seven Ca and two equivalent Pt atoms.},

  doi          = {10.17188/1205692},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205692

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