The structure described by Ca(IrP)2 crystallizes in the trigonal P3_221 space group. Ca(1) is bonded in a 11-coordinate geometry to two equivalent Ir(2), three equivalent Ir(1), and six equivalent P(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent P(1) atoms. In the second Ir site, Ir(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1) and four equivalent P(1) atoms. P(1) is bonded to three equivalent Ca(1), two equivalent Ir(1), and two equivalent Ir(2) atoms to form a mixture of distorted edge, corner, and face-sharing PCa3Ir4 pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(PIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.624
_cell_length_b   6.624
_cell_length_c   7.068
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   268.601
_cell_formula_units_Z   3
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  0.395  0.395  0.500  1.0
  Ca  Ca1  1  0.605  0.000  0.167  1.0
  Ca  Ca2  1  0.000  0.605  0.833  1.0
  P  P3  1  0.883  0.223  0.543  1.0
  P  P4  1  0.223  0.883  0.457  1.0
  P  P5  1  0.117  0.340  0.123  1.0
  P  P6  1  0.777  0.660  0.210  1.0
  P  P7  1  0.340  0.117  0.877  1.0
  P  P8  1  0.660  0.777  0.790  1.0
  Ir  Ir9  1  0.864  0.864  0.500  1.0
  Ir  Ir10  1  0.136  0.000  0.167  1.0
  Ir  Ir11  1  0.486  0.486  0.000  1.0
  Ir  Ir12  1  0.000  0.514  0.333  1.0
  Ir  Ir13  1  0.514  0.000  0.667  1.0
  Ir  Ir14  1  0.000  0.136  0.833  1.0
[/CIF]
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The structure described by Ca(IrP)2 crystallizes in the trigonal P3_221 space group. Ca(1) is bonded in a 11-coordinate geometry to two equivalent Ir(2), three equivalent Ir(1), and six equivalent P(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1) and four equivalent P(1) atoms. In the second Ir site, Ir(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1) and four equivalent P(1) atoms. P(1) is bonded to three equivalent Ca(1), two equivalent Ir(1), and two equivalent Ir(2) atoms to form a mixture of distorted edge, corner, and face-sharing PCa3Ir4 pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(PIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.624
_cell_length_b   6.624
_cell_length_c   7.068
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   268.601
_cell_formula_units_Z   3
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  0.395  0.395  0.500  1.0
  Ca  Ca1  1  0.605  0.000  0.167  1.0
  Ca  Ca2  1  0.000  0.605  0.833  1.0
  P  P3  1  0.883  0.223  0.543  1.0
  P  P4  1  0.223  0.883  0.457  1.0
  P  P5  1  0.117  0.340  0.123  1.0
  P  P6  1  0.777  0.660  0.210  1.0
  P  P7  1  0.340  0.117  0.877  1.0
  P  P8  1  0.660  0.777  0.790  1.0
  Ir  Ir9  1  0.864  0.864  0.500  1.0
  Ir  Ir10  1  0.136  0.000  0.167  1.0
  Ir  Ir11  1  0.486  0.486  0.000  1.0
  Ir  Ir12  1  0.000  0.514  0.333  1.0
  Ir  Ir13  1  0.514  0.000  0.667  1.0
  Ir  Ir14  1  0.000  0.136  0.833  1.0
[/CIF]
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