The compound described by Ca5CP3O12 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one C(1), one O(1), one O(2), and four equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to three equivalent Ca(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ca(2), two equivalent Ca(1), and one P(1) atom. In the second O site, O(2) is bonded to one Ca(2), two equivalent Ca(1), and one P(1) atom to form distorted edge-sharing OCa3P tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5P3CO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.718
_cell_length_b   9.718
_cell_length_c   6.822
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   557.989
_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  0.333  0.667  0.002  1.0
  Ca  Ca1  1  0.667  0.333  0.998  1.0
  Ca  Ca2  1  0.667  0.333  0.502  1.0
  Ca  Ca3  1  0.333  0.667  0.498  1.0
  Ca  Ca4  1  0.263  0.259  0.250  1.0
  Ca  Ca5  1  0.737  0.741  0.750  1.0
  Ca  Ca6  1  0.741  0.004  0.250  1.0
  Ca  Ca7  1  0.259  0.996  0.750  1.0
  Ca  Ca8  1  0.996  0.737  0.250  1.0
  Ca  Ca9  1  0.004  0.263  0.750  1.0
  P  P10  1  0.401  0.032  0.250  1.0
  P  P11  1  0.599  0.968  0.750  1.0
  P  P12  1  0.968  0.369  0.250  1.0
  P  P13  1  0.032  0.631  0.750  1.0
  P  P14  1  0.631  0.599  0.250  1.0
  P  P15  1  0.369  0.401  0.750  1.0
  C  C16  1  0.000  0.000  0.250  1.0
  C  C17  1  0.000  0.000  0.750  1.0
  O  O18  1  0.150  0.486  0.250  1.0
  O  O19  1  0.850  0.514  0.750  1.0
  O  O20  1  0.514  0.664  0.250  1.0
  O  O21  1  0.486  0.336  0.750  1.0
  O  O22  1  0.336  0.850  0.250  1.0
  O  O23  1  0.664  0.150  0.750  1.0
  O  O24  1  0.588  0.126  0.250  1.0
  O  O25  1  0.412  0.874  0.750  1.0
  O  O26  1  0.874  0.462  0.250  1.0
  O  O27  1  0.126  0.538  0.750  1.0
  O  O28  1  0.538  0.412  0.250  1.0
  O  O29  1  0.462  0.588  0.750  1.0
  O  O30  1  0.348  0.088  0.067  1.0
  O  O31  1  0.652  0.912  0.933  1.0
  O  O32  1  0.912  0.260  0.067  1.0
  O  O33  1  0.652  0.912  0.567  1.0
  O  O34  1  0.088  0.740  0.933  1.0
  O  O35  1  0.348  0.088  0.433  1.0
  O  O36  1  0.740  0.652  0.067  1.0
  O  O37  1  0.088  0.740  0.567  1.0
  O  O38  1  0.260  0.348  0.933  1.0
  O  O39  1  0.912  0.260  0.433  1.0
  O  O40  1  0.260  0.348  0.567  1.0
  O  O41  1  0.740  0.652  0.433  1.0
[/CIF]
.
The compound described by Ca5CP3O12 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one C(1), one O(1), one O(2), and four equivalent O(3) atoms. C(1) is bonded in a trigonal planar geometry to three equivalent Ca(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ca(2), two equivalent Ca(1), and one P(1) atom. In the second O site, O(2) is bonded to one Ca(2), two equivalent Ca(1), and one P(1) atom to form distorted edge-sharing OCa3P tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca5P3CO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.718
_cell_length_b   9.718
_cell_length_c   6.822
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   557.989
_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  0.333  0.667  0.002  1.0
  Ca  Ca1  1  0.667  0.333  0.998  1.0
  Ca  Ca2  1  0.667  0.333  0.502  1.0
  Ca  Ca3  1  0.333  0.667  0.498  1.0
  Ca  Ca4  1  0.263  0.259  0.250  1.0
  Ca  Ca5  1  0.737  0.741  0.750  1.0
  Ca  Ca6  1  0.741  0.004  0.250  1.0
  Ca  Ca7  1  0.259  0.996  0.750  1.0
  Ca  Ca8  1  0.996  0.737  0.250  1.0
  Ca  Ca9  1  0.004  0.263  0.750  1.0
  P  P10  1  0.401  0.032  0.250  1.0
  P  P11  1  0.599  0.968  0.750  1.0
  P  P12  1  0.968  0.369  0.250  1.0
  P  P13  1  0.032  0.631  0.750  1.0
  P  P14  1  0.631  0.599  0.250  1.0
  P  P15  1  0.369  0.401  0.750  1.0
  C  C16  1  0.000  0.000  0.250  1.0
  C  C17  1  0.000  0.000  0.750  1.0
  O  O18  1  0.150  0.486  0.250  1.0
  O  O19  1  0.850  0.514  0.750  1.0
  O  O20  1  0.514  0.664  0.250  1.0
  O  O21  1  0.486  0.336  0.750  1.0
  O  O22  1  0.336  0.850  0.250  1.0
  O  O23  1  0.664  0.150  0.750  1.0
  O  O24  1  0.588  0.126  0.250  1.0
  O  O25  1  0.412  0.874  0.750  1.0
  O  O26  1  0.874  0.462  0.250  1.0
  O  O27  1  0.126  0.538  0.750  1.0
  O  O28  1  0.538  0.412  0.250  1.0
  O  O29  1  0.462  0.588  0.750  1.0
  O  O30  1  0.348  0.088  0.067  1.0
  O  O31  1  0.652  0.912  0.933  1.0
  O  O32  1  0.912  0.260  0.067  1.0
  O  O33  1  0.652  0.912  0.567  1.0
  O  O34  1  0.088  0.740  0.933  1.0
  O  O35  1  0.348  0.088  0.433  1.0
  O  O36  1  0.740  0.652  0.067  1.0
  O  O37  1  0.088  0.740  0.567  1.0
  O  O38  1  0.260  0.348  0.933  1.0
  O  O39  1  0.912  0.260  0.433  1.0
  O  O40  1  0.260  0.348  0.567  1.0
  O  O41  1  0.740  0.652  0.433  1.0
[/CIF]
.