The compound described by Ca2CdP2 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one P(2) and four equivalent P(1) atoms. Cd(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), and two equivalent Cd(1) atoms. In the second P site, P(2) is bonded to one Ca(2), three equivalent Ca(1), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing PCa4Cd2 octahedra. The corner-sharing octahedral tilt angles are 74°. is represented by the CIF file [CIF]
data_Ca2CdP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.297
_cell_length_b   8.297
_cell_length_c   7.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   150.683
_symmetry_Int_Tables_number   1
_cell_volume   238.469
_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  0.299  0.701  0.925  1.0
  Ca  Ca1  1  0.701  0.299  0.425  1.0
  Ca  Ca2  1  0.465  0.535  0.270  1.0
  Ca  Ca3  1  0.535  0.465  0.770  1.0
  Cd  Cd4  1  0.099  0.901  0.109  1.0
  Cd  Cd5  1  0.901  0.099  0.609  1.0
  P  P6  1  0.062  0.938  0.478  1.0
  P  P7  1  0.938  0.062  0.978  1.0
  P  P8  1  0.320  0.680  0.507  1.0
  P  P9  1  0.680  0.320  0.007  1.0
[/CIF]
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The compound described by Ca2CdP2 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one P(2) and four equivalent P(1) atoms. Cd(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and two equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), and two equivalent Cd(1) atoms. In the second P site, P(2) is bonded to one Ca(2), three equivalent Ca(1), and two equivalent Cd(1) atoms to form a mixture of distorted corner and edge-sharing PCa4Cd2 octahedra. The corner-sharing octahedral tilt angles are 74°. is represented by the CIF file [CIF]
data_Ca2CdP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.297
_cell_length_b   8.297
_cell_length_c   7.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   150.683
_symmetry_Int_Tables_number   1
_cell_volume   238.469
_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  0.299  0.701  0.925  1.0
  Ca  Ca1  1  0.701  0.299  0.425  1.0
  Ca  Ca2  1  0.465  0.535  0.270  1.0
  Ca  Ca3  1  0.535  0.465  0.770  1.0
  Cd  Cd4  1  0.099  0.901  0.109  1.0
  Cd  Cd5  1  0.901  0.099  0.609  1.0
  P  P6  1  0.062  0.938  0.478  1.0
  P  P7  1  0.938  0.062  0.978  1.0
  P  P8  1  0.320  0.680  0.507  1.0
  P  P9  1  0.680  0.320  0.007  1.0
[/CIF]
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