The structure described by CaAg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded to four equivalent Ag(2) and eight equivalent Ag(1) atoms to form CaAg12 cuboctahedra that share corners with four equivalent Ca(1)Ag12 cuboctahedra, corners with eight equivalent Ag(2)Ca4Ag8 cuboctahedra, edges with eight equivalent Ca(1)Ag12 cuboctahedra, faces with four equivalent Ca(1)Ag12 cuboctahedra, and faces with six equivalent Ag(2)Ca4Ag8 cuboctahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and four equivalent Ag(2) atoms. In the second Ag site, Ag(2) is bonded to four equivalent Ca(1) and eight equivalent Ag(1) atoms to form distorted AgCa4Ag8 cuboctahedra that share corners with four equivalent Ag(2)Ca4Ag8 cuboctahedra, corners with eight equivalent Ca(1)Ag12 cuboctahedra, edges with eight equivalent Ag(2)Ca4Ag8 cuboctahedra, faces with four equivalent Ag(2)Ca4Ag8 cuboctahedra, and faces with six equivalent Ca(1)Ag12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.189
_cell_length_b   5.189
_cell_length_c   5.189
_cell_angle_alpha   129.354
_cell_angle_beta   129.354
_cell_angle_gamma   74.441
_symmetry_Int_Tables_number   1
_cell_volume   81.400
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Ag  Ag1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.250  0.750  0.500  1.0
  Ag  Ag3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by CaAg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded to four equivalent Ag(2) and eight equivalent Ag(1) atoms to form CaAg12 cuboctahedra that share corners with four equivalent Ca(1)Ag12 cuboctahedra, corners with eight equivalent Ag(2)Ca4Ag8 cuboctahedra, edges with eight equivalent Ca(1)Ag12 cuboctahedra, faces with four equivalent Ca(1)Ag12 cuboctahedra, and faces with six equivalent Ag(2)Ca4Ag8 cuboctahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and four equivalent Ag(2) atoms. In the second Ag site, Ag(2) is bonded to four equivalent Ca(1) and eight equivalent Ag(1) atoms to form distorted AgCa4Ag8 cuboctahedra that share corners with four equivalent Ag(2)Ca4Ag8 cuboctahedra, corners with eight equivalent Ca(1)Ag12 cuboctahedra, edges with eight equivalent Ag(2)Ca4Ag8 cuboctahedra, faces with four equivalent Ag(2)Ca4Ag8 cuboctahedra, and faces with six equivalent Ca(1)Ag12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.189
_cell_length_b   5.189
_cell_length_c   5.189
_cell_angle_alpha   129.354
_cell_angle_beta   129.354
_cell_angle_gamma   74.441
_symmetry_Int_Tables_number   1
_cell_volume   81.400
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Ag  Ag1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.250  0.750  0.500  1.0
  Ag  Ag3  1  0.500  0.500  0.000  1.0
[/CIF]
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