The compound described by CaCu4P2 crystallizes in the tetragonal P4_2/mnm space group. Ca(1) is bonded in a 18-coordinate geometry to twelve equivalent Cu(1) and six equivalent P(1) atoms. Cu(1) is bonded in a 3-coordinate geometry to three equivalent Ca(1) and three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1) and six equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Ca(Cu2P)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.777
_cell_length_b   7.249
_cell_length_c   7.249
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.466
_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  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.000  0.416  0.836  1.0
  Cu  Cu3  1  0.500  0.084  0.336  1.0
  Cu  Cu4  1  0.000  0.164  0.584  1.0
  Cu  Cu5  1  0.000  0.836  0.416  1.0
  Cu  Cu6  1  0.500  0.664  0.916  1.0
  Cu  Cu7  1  0.500  0.336  0.084  1.0
  Cu  Cu8  1  0.000  0.584  0.164  1.0
  Cu  Cu9  1  0.500  0.916  0.664  1.0
  P  P10  1  0.000  0.719  0.719  1.0
  P  P11  1  0.000  0.281  0.281  1.0
  P  P12  1  0.500  0.219  0.781  1.0
  P  P13  1  0.500  0.781  0.219  1.0
[/CIF]
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The compound described by CaCu4P2 crystallizes in the tetragonal P4_2/mnm space group. Ca(1) is bonded in a 18-coordinate geometry to twelve equivalent Cu(1) and six equivalent P(1) atoms. Cu(1) is bonded in a 3-coordinate geometry to three equivalent Ca(1) and three equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1) and six equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Ca(Cu2P)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.777
_cell_length_b   7.249
_cell_length_c   7.249
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.466
_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  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.000  0.416  0.836  1.0
  Cu  Cu3  1  0.500  0.084  0.336  1.0
  Cu  Cu4  1  0.000  0.164  0.584  1.0
  Cu  Cu5  1  0.000  0.836  0.416  1.0
  Cu  Cu6  1  0.500  0.664  0.916  1.0
  Cu  Cu7  1  0.500  0.336  0.084  1.0
  Cu  Cu8  1  0.000  0.584  0.164  1.0
  Cu  Cu9  1  0.500  0.916  0.664  1.0
  P  P10  1  0.000  0.719  0.719  1.0
  P  P11  1  0.000  0.281  0.281  1.0
  P  P12  1  0.500  0.219  0.781  1.0
  P  P13  1  0.500  0.781  0.219  1.0
[/CIF]
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