The compound described by CaP is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent P(2) and four equivalent P(1) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent P(2) and four equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and one P(2) atom. In the second P site, P(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and one P(1) atom. is represented by the CIF file [CIF]
data_CaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.654
_cell_length_b   7.654
_cell_length_c   5.721
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   290.250
_cell_formula_units_Z   6
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  0.643  0.500  1.0
  Ca  Ca1  1  0.357  0.357  0.500  1.0
  Ca  Ca2  1  0.643  0.000  0.500  1.0
  Ca  Ca3  1  0.000  0.308  0.000  1.0
  Ca  Ca4  1  0.692  0.692  0.000  1.0
  Ca  Ca5  1  0.308  0.000  0.000  1.0
  P  P6  1  0.667  0.333  0.200  1.0
  P  P7  1  0.667  0.333  0.800  1.0
  P  P8  1  0.333  0.667  0.800  1.0
  P  P9  1  0.333  0.667  0.200  1.0
  P  P10  1  0.000  0.000  0.695  1.0
  P  P11  1  0.000  0.000  0.305  1.0
[/CIF]
.
The compound described by CaP is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent P(2) and four equivalent P(1) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent P(2) and four equivalent P(1) atoms. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and one P(2) atom. In the second P site, P(1) is bonded in a 7-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and one P(1) atom. is represented by the CIF file [CIF]
data_CaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.654
_cell_length_b   7.654
_cell_length_c   5.721
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   290.250
_cell_formula_units_Z   6
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  0.643  0.500  1.0
  Ca  Ca1  1  0.357  0.357  0.500  1.0
  Ca  Ca2  1  0.643  0.000  0.500  1.0
  Ca  Ca3  1  0.000  0.308  0.000  1.0
  Ca  Ca4  1  0.692  0.692  0.000  1.0
  Ca  Ca5  1  0.308  0.000  0.000  1.0
  P  P6  1  0.667  0.333  0.200  1.0
  P  P7  1  0.667  0.333  0.800  1.0
  P  P8  1  0.333  0.667  0.800  1.0
  P  P9  1  0.333  0.667  0.200  1.0
  P  P10  1  0.000  0.000  0.695  1.0
  P  P11  1  0.000  0.000  0.305  1.0
[/CIF]
.