The material described by Ca2AgCu crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to three equivalent Ag(1) and four equivalent Cu(1) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to four equivalent Ag(1) and three equivalent Cu(1) atoms. Ag(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1), four equivalent Ca(2), and two equivalent Cu(1) atoms. Cu(1) is bonded in a 9-coordinate geometry to three equivalent Ca(2), four equivalent Ca(1), and two equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2CuAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.890
_cell_length_b   5.890
_cell_length_c   4.373
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   137.852
_symmetry_Int_Tables_number   1
_cell_volume   101.791
_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  0.141  0.859  0.000  1.0
  Ca  Ca1  1  0.857  0.143  0.500  1.0
  Cu  Cu2  1  0.566  0.434  0.500  1.0
  Ag  Ag3  1  0.435  0.565  0.000  1.0
[/CIF]
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The material described by Ca2AgCu crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to three equivalent Ag(1) and four equivalent Cu(1) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to four equivalent Ag(1) and three equivalent Cu(1) atoms. Ag(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1), four equivalent Ca(2), and two equivalent Cu(1) atoms. Cu(1) is bonded in a 9-coordinate geometry to three equivalent Ca(2), four equivalent Ca(1), and two equivalent Ag(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2CuAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.890
_cell_length_b   5.890
_cell_length_c   4.373
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   137.852
_symmetry_Int_Tables_number   1
_cell_volume   101.791
_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  0.141  0.859  0.000  1.0
  Ca  Ca1  1  0.857  0.143  0.500  1.0
  Cu  Cu2  1  0.566  0.434  0.500  1.0
  Ag  Ag3  1  0.435  0.565  0.000  1.0
[/CIF]
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