The material described by Ca3Ag8 crystallizes in the cubic Im-3m space group. Ca(1) is bonded in a 12-coordinate geometry to four equivalent Ag(2) and eight equivalent Ag(1) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 12-coordinate geometry to four equivalent Ca(1), two equivalent Ag(2), and six equivalent Ag(1) atoms. In the second Ag site, Ag(2) is bonded to six equivalent Ca(1) and six equivalent Ag(1) atoms to form a mixture of face and corner-sharing AgCa6Ag6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Ag8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.599
_cell_length_b   8.599
_cell_length_c   8.599
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   489.508
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.000  0.283  0.283  1.0
  Ca  Ca1  1  0.717  0.000  0.717  1.0
  Ca  Ca2  1  0.283  0.283  0.000  1.0
  Ca  Ca3  1  0.717  0.717  0.000  1.0
  Ca  Ca4  1  0.000  0.717  0.717  1.0
  Ca  Ca5  1  0.283  0.000  0.283  1.0
  Ag  Ag6  1  0.661  0.000  0.339  1.0
  Ag  Ag7  1  0.661  0.322  0.661  1.0
  Ag  Ag8  1  0.000  0.661  0.339  1.0
  Ag  Ag9  1  0.678  0.339  0.339  1.0
  Ag  Ag10  1  0.339  0.339  0.678  1.0
  Ag  Ag11  1  0.000  0.339  0.661  1.0
  Ag  Ag12  1  0.339  0.661  0.000  1.0
  Ag  Ag13  1  0.661  0.661  0.322  1.0
  Ag  Ag14  1  0.322  0.661  0.661  1.0
  Ag  Ag15  1  0.500  0.000  0.000  1.0
  Ag  Ag16  1  0.661  0.339  0.000  1.0
  Ag  Ag17  1  0.339  0.000  0.661  1.0
  Ag  Ag18  1  0.339  0.678  0.339  1.0
  Ag  Ag19  1  0.500  0.500  0.500  1.0
  Ag  Ag20  1  0.000  0.500  0.000  1.0
  Ag  Ag21  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by Ca3Ag8 crystallizes in the cubic Im-3m space group. Ca(1) is bonded in a 12-coordinate geometry to four equivalent Ag(2) and eight equivalent Ag(1) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 12-coordinate geometry to four equivalent Ca(1), two equivalent Ag(2), and six equivalent Ag(1) atoms. In the second Ag site, Ag(2) is bonded to six equivalent Ca(1) and six equivalent Ag(1) atoms to form a mixture of face and corner-sharing AgCa6Ag6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Ag8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.599
_cell_length_b   8.599
_cell_length_c   8.599
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   489.508
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.000  0.283  0.283  1.0
  Ca  Ca1  1  0.717  0.000  0.717  1.0
  Ca  Ca2  1  0.283  0.283  0.000  1.0
  Ca  Ca3  1  0.717  0.717  0.000  1.0
  Ca  Ca4  1  0.000  0.717  0.717  1.0
  Ca  Ca5  1  0.283  0.000  0.283  1.0
  Ag  Ag6  1  0.661  0.000  0.339  1.0
  Ag  Ag7  1  0.661  0.322  0.661  1.0
  Ag  Ag8  1  0.000  0.661  0.339  1.0
  Ag  Ag9  1  0.678  0.339  0.339  1.0
  Ag  Ag10  1  0.339  0.339  0.678  1.0
  Ag  Ag11  1  0.000  0.339  0.661  1.0
  Ag  Ag12  1  0.339  0.661  0.000  1.0
  Ag  Ag13  1  0.661  0.661  0.322  1.0
  Ag  Ag14  1  0.322  0.661  0.661  1.0
  Ag  Ag15  1  0.500  0.000  0.000  1.0
  Ag  Ag16  1  0.661  0.339  0.000  1.0
  Ag  Ag17  1  0.339  0.000  0.661  1.0
  Ag  Ag18  1  0.339  0.678  0.339  1.0
  Ag  Ag19  1  0.500  0.500  0.500  1.0
  Ag  Ag20  1  0.000  0.500  0.000  1.0
  Ag  Ag21  1  0.000  0.000  0.500  1.0
[/CIF]
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