The structure described by Ca(GaP)2 crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded to six equivalent P(1) atoms to form CaP6 octahedra that share corners with six equivalent Ga(1)GaP3 tetrahedra, edges with six equivalent Ca(1)P6 octahedra, and edges with six equivalent Ga(1)GaP3 tetrahedra. Ga(1) is bonded to one Ga(1) and three equivalent P(1) atoms to form distorted GaGaP3 tetrahedra that share corners with three equivalent Ca(1)P6 octahedra, corners with three equivalent P(1)Ca3Ga3 octahedra, corners with six equivalent Ga(1)GaP3 tetrahedra, and edges with three equivalent Ca(1)P6 octahedra. The corner-sharing octahedral tilt angles range from 17-66°. P(1) is bonded to three equivalent Ca(1) and three equivalent Ga(1) atoms to form PCa3Ga3 octahedra that share corners with three equivalent P(1)Ca3Ga3 octahedra, corners with three equivalent Ga(1)GaP3 tetrahedra, and edges with nine equivalent P(1)Ca3Ga3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ca(GaP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.841
_cell_length_b   3.841
_cell_length_c   16.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   209.532
_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  0.000  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ga  Ga2  1  0.333  0.667  0.325  1.0
  Ga  Ga3  1  0.667  0.333  0.675  1.0
  Ga  Ga4  1  0.667  0.333  0.825  1.0
  Ga  Ga5  1  0.333  0.667  0.175  1.0
  P  P6  1  0.333  0.667  0.885  1.0
  P  P7  1  0.667  0.333  0.115  1.0
  P  P8  1  0.667  0.333  0.385  1.0
  P  P9  1  0.333  0.667  0.615  1.0
[/CIF]
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The structure described by Ca(GaP)2 crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded to six equivalent P(1) atoms to form CaP6 octahedra that share corners with six equivalent Ga(1)GaP3 tetrahedra, edges with six equivalent Ca(1)P6 octahedra, and edges with six equivalent Ga(1)GaP3 tetrahedra. Ga(1) is bonded to one Ga(1) and three equivalent P(1) atoms to form distorted GaGaP3 tetrahedra that share corners with three equivalent Ca(1)P6 octahedra, corners with three equivalent P(1)Ca3Ga3 octahedra, corners with six equivalent Ga(1)GaP3 tetrahedra, and edges with three equivalent Ca(1)P6 octahedra. The corner-sharing octahedral tilt angles range from 17-66°. P(1) is bonded to three equivalent Ca(1) and three equivalent Ga(1) atoms to form PCa3Ga3 octahedra that share corners with three equivalent P(1)Ca3Ga3 octahedra, corners with three equivalent Ga(1)GaP3 tetrahedra, and edges with nine equivalent P(1)Ca3Ga3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ca(GaP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.841
_cell_length_b   3.841
_cell_length_c   16.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   209.532
_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  0.000  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ga  Ga2  1  0.333  0.667  0.325  1.0
  Ga  Ga3  1  0.667  0.333  0.675  1.0
  Ga  Ga4  1  0.667  0.333  0.825  1.0
  Ga  Ga5  1  0.333  0.667  0.175  1.0
  P  P6  1  0.333  0.667  0.885  1.0
  P  P7  1  0.667  0.333  0.115  1.0
  P  P8  1  0.667  0.333  0.385  1.0
  P  P9  1  0.333  0.667  0.615  1.0
[/CIF]
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