@chemistry/mol3dview/example/1000009.ts

Crystal Structure Viewer

export default {
    "_id" : 1000009,
    a: "9.68080",
    alpha: "90.00000",
    articleHtml: "<i>American Mineralogist</i> (<b>2008</b>) 93, 177-186",
    b: "8.84880",
    beta: "105.60600",
    c: "5.21800",
    calcformula: "Ca Mg O6 Si2",
    diffrpressure: "2.32e+06",
    gamma: "90.00000",
    mineral: "Diopside",
    sg :"C 1 2/c 1",
    "loops" : [{
    "columns" :["_atom_site_label", "_atom_site_fract_x", "_atom_site_fract_y", "_atom_site_fract_z", "_atom_site_U_iso_or_equiv"],
    "data" :[
      ["MgM1", "0.00000", "0.90867", "0.25000", "0.00469"],
      ["CaM2", "0.00000", "0.30270", "0.25000", "0.00912"],
      ["SiT", "0.28626", "0.09370", "0.22834", "0.00545"],
      ["O1", "0.11547", "0.08705", "0.14258", "0.00785"],
      ["O2", "0.36079", "0.25183", "0.31872", "0.00899"],
      ["O3", "0.35156", "0.01943", "0.99227", "0.00760"],
    ]
    }]
}