The structure described by Ca5P3O13 crystallizes in the hexagonal P6_3 space group. There are three 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(3), and three equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), and one P(1) atom. In the second O site, O(5) is bonded in a trigonal planar geometry to three equivalent Ca(3) atoms. In the third O site, O(1) is bonded to one Ca(1), one Ca(2), one Ca(3), and one P(1) atom to form distorted edge-sharing OCa3P tetrahedra. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(3), and one P(1) atom. In the fifth O site, O(3) is bonded in a 1-coordinate geometry to one Ca(1), two equivalent Ca(3), and one P(1) atom. is represented by the CIF file [CIF]
data_Ca5P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.537
_cell_length_b   9.537
_cell_length_c   6.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   544.731
_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  0.667  0.333  0.501  1.0
  Ca  Ca1  1  0.333  0.667  0.001  1.0
  Ca  Ca2  1  0.333  0.667  0.498  1.0
  Ca  Ca3  1  0.667  0.333  0.998  1.0
  Ca  Ca4  1  0.249  0.001  0.748  1.0
  Ca  Ca5  1  0.999  0.248  0.748  1.0
  Ca  Ca6  1  0.752  0.751  0.748  1.0
  Ca  Ca7  1  0.751  0.999  0.248  1.0
  Ca  Ca8  1  0.001  0.752  0.248  1.0
  Ca  Ca9  1  0.248  0.249  0.248  1.0
  P  P10  1  0.030  0.631  0.748  1.0
  P  P11  1  0.369  0.399  0.748  1.0
  P  P12  1  0.601  0.970  0.748  1.0
  P  P13  1  0.970  0.369  0.248  1.0
  P  P14  1  0.631  0.601  0.248  1.0
  P  P15  1  0.399  0.030  0.248  1.0
  O  O16  1  0.124  0.536  0.751  1.0
  O  O17  1  0.464  0.588  0.751  1.0
  O  O18  1  0.412  0.876  0.751  1.0
  O  O19  1  0.876  0.464  0.251  1.0
  O  O20  1  0.536  0.412  0.251  1.0
  O  O21  1  0.588  0.124  0.251  1.0
  O  O22  1  0.087  0.740  0.566  1.0
  O  O23  1  0.260  0.346  0.566  1.0
  O  O24  1  0.654  0.913  0.566  1.0
  O  O25  1  0.913  0.260  0.066  1.0
  O  O26  1  0.740  0.654  0.066  1.0
  O  O27  1  0.346  0.087  0.066  1.0
  O  O28  1  0.916  0.256  0.427  1.0
  O  O29  1  0.744  0.660  0.427  1.0
  O  O30  1  0.340  0.084  0.427  1.0
  O  O31  1  0.084  0.744  0.927  1.0
  O  O32  1  0.256  0.340  0.927  1.0
  O  O33  1  0.660  0.916  0.927  1.0
  O  O34  1  0.845  0.514  0.748  1.0
  O  O35  1  0.486  0.331  0.748  1.0
  O  O36  1  0.669  0.155  0.748  1.0
  O  O37  1  0.155  0.486  0.248  1.0
  O  O38  1  0.514  0.669  0.248  1.0
  O  O39  1  0.331  0.845  0.248  1.0
  O  O40  1  0.000  0.000  0.733  1.0
  O  O41  1  0.000  0.000  0.233  1.0
[/CIF]
.
The structure described by Ca5P3O13 crystallizes in the hexagonal P6_3 space group. There are three 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(3), and three equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), and one P(1) atom. In the second O site, O(5) is bonded in a trigonal planar geometry to three equivalent Ca(3) atoms. In the third O site, O(1) is bonded to one Ca(1), one Ca(2), one Ca(3), and one P(1) atom to form distorted edge-sharing OCa3P tetrahedra. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(3), and one P(1) atom. In the fifth O site, O(3) is bonded in a 1-coordinate geometry to one Ca(1), two equivalent Ca(3), and one P(1) atom. is represented by the CIF file [CIF]
data_Ca5P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.537
_cell_length_b   9.537
_cell_length_c   6.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   544.731
_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  0.667  0.333  0.501  1.0
  Ca  Ca1  1  0.333  0.667  0.001  1.0
  Ca  Ca2  1  0.333  0.667  0.498  1.0
  Ca  Ca3  1  0.667  0.333  0.998  1.0
  Ca  Ca4  1  0.249  0.001  0.748  1.0
  Ca  Ca5  1  0.999  0.248  0.748  1.0
  Ca  Ca6  1  0.752  0.751  0.748  1.0
  Ca  Ca7  1  0.751  0.999  0.248  1.0
  Ca  Ca8  1  0.001  0.752  0.248  1.0
  Ca  Ca9  1  0.248  0.249  0.248  1.0
  P  P10  1  0.030  0.631  0.748  1.0
  P  P11  1  0.369  0.399  0.748  1.0
  P  P12  1  0.601  0.970  0.748  1.0
  P  P13  1  0.970  0.369  0.248  1.0
  P  P14  1  0.631  0.601  0.248  1.0
  P  P15  1  0.399  0.030  0.248  1.0
  O  O16  1  0.124  0.536  0.751  1.0
  O  O17  1  0.464  0.588  0.751  1.0
  O  O18  1  0.412  0.876  0.751  1.0
  O  O19  1  0.876  0.464  0.251  1.0
  O  O20  1  0.536  0.412  0.251  1.0
  O  O21  1  0.588  0.124  0.251  1.0
  O  O22  1  0.087  0.740  0.566  1.0
  O  O23  1  0.260  0.346  0.566  1.0
  O  O24  1  0.654  0.913  0.566  1.0
  O  O25  1  0.913  0.260  0.066  1.0
  O  O26  1  0.740  0.654  0.066  1.0
  O  O27  1  0.346  0.087  0.066  1.0
  O  O28  1  0.916  0.256  0.427  1.0
  O  O29  1  0.744  0.660  0.427  1.0
  O  O30  1  0.340  0.084  0.427  1.0
  O  O31  1  0.084  0.744  0.927  1.0
  O  O32  1  0.256  0.340  0.927  1.0
  O  O33  1  0.660  0.916  0.927  1.0
  O  O34  1  0.845  0.514  0.748  1.0
  O  O35  1  0.486  0.331  0.748  1.0
  O  O36  1  0.669  0.155  0.748  1.0
  O  O37  1  0.155  0.486  0.248  1.0
  O  O38  1  0.514  0.669  0.248  1.0
  O  O39  1  0.331  0.845  0.248  1.0
  O  O40  1  0.000  0.000  0.733  1.0
  O  O41  1  0.000  0.000  0.233  1.0
[/CIF]
.