The material structure described by Cd5P3O13 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. In the third Cd site, Cd(3) is bonded in a 6-coordinate geometry to 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 distorted single-bond geometry to one Cd(1), one Cd(2), one Cd(3), and one P(1) atom. In the second O site, O(5) is bonded in a trigonal planar geometry to three equivalent Cd(3) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cd(3) and one P(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cd(3) and one P(1) atom. is represented by the CIF card [CIF]
data_Cd5P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.697
_cell_length_b   9.562
_cell_length_c   9.562
_cell_angle_alpha   120.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   530.253
_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
  Cd  Cd0  1  0.500  0.667  0.333  1.0
  Cd  Cd1  1  0.000  0.333  0.667  1.0
  Cd  Cd2  1  0.498  0.333  0.667  1.0
  Cd  Cd3  1  0.998  0.667  0.333  1.0
  Cd  Cd4  1  0.747  0.003  0.758  1.0
  Cd  Cd5  1  0.747  0.242  0.245  1.0
  Cd  Cd6  1  0.747  0.755  0.997  1.0
  Cd  Cd7  1  0.247  0.997  0.242  1.0
  Cd  Cd8  1  0.247  0.758  0.755  1.0
  Cd  Cd9  1  0.247  0.245  0.003  1.0
  P  P10  1  0.747  0.370  0.975  1.0
  P  P11  1  0.747  0.025  0.395  1.0
  P  P12  1  0.747  0.605  0.630  1.0
  P  P13  1  0.247  0.630  0.025  1.0
  P  P14  1  0.247  0.975  0.605  1.0
  P  P15  1  0.247  0.395  0.370  1.0
  O  O16  1  0.747  0.489  0.160  1.0
  O  O17  1  0.747  0.840  0.329  1.0
  O  O18  1  0.747  0.671  0.511  1.0
  O  O19  1  0.247  0.511  0.840  1.0
  O  O20  1  0.247  0.160  0.671  1.0
  O  O21  1  0.247  0.329  0.489  1.0
  O  O22  1  0.560  0.260  0.920  1.0
  O  O23  1  0.560  0.080  0.340  1.0
  O  O24  1  0.560  0.660  0.740  1.0
  O  O25  1  0.060  0.740  0.080  1.0
  O  O26  1  0.060  0.920  0.660  1.0
  O  O27  1  0.060  0.340  0.260  1.0
  O  O28  1  0.430  0.745  0.078  1.0
  O  O29  1  0.430  0.922  0.667  1.0
  O  O30  1  0.430  0.333  0.255  1.0
  O  O31  1  0.930  0.255  0.922  1.0
  O  O32  1  0.930  0.078  0.333  1.0
  O  O33  1  0.930  0.667  0.745  1.0
  O  O34  1  0.752  0.463  0.878  1.0
  O  O35  1  0.752  0.122  0.585  1.0
  O  O36  1  0.752  0.415  0.537  1.0
  O  O37  1  0.252  0.537  0.122  1.0
  O  O38  1  0.252  0.878  0.415  1.0
  O  O39  1  0.252  0.585  0.463  1.0
  O  O40  1  0.741  1.000  1.000  1.0
  O  O41  1  0.241  0.000  0.000  1.0
[/CIF]
.
The material structure described by Cd5P3O13 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. In the third Cd site, Cd(3) is bonded in a 6-coordinate geometry to 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 distorted single-bond geometry to one Cd(1), one Cd(2), one Cd(3), and one P(1) atom. In the second O site, O(5) is bonded in a trigonal planar geometry to three equivalent Cd(3) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cd(3) and one P(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cd(3) and one P(1) atom. is represented by the CIF card [CIF]
data_Cd5P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.697
_cell_length_b   9.562
_cell_length_c   9.562
_cell_angle_alpha   120.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   530.253
_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
  Cd  Cd0  1  0.500  0.667  0.333  1.0
  Cd  Cd1  1  0.000  0.333  0.667  1.0
  Cd  Cd2  1  0.498  0.333  0.667  1.0
  Cd  Cd3  1  0.998  0.667  0.333  1.0
  Cd  Cd4  1  0.747  0.003  0.758  1.0
  Cd  Cd5  1  0.747  0.242  0.245  1.0
  Cd  Cd6  1  0.747  0.755  0.997  1.0
  Cd  Cd7  1  0.247  0.997  0.242  1.0
  Cd  Cd8  1  0.247  0.758  0.755  1.0
  Cd  Cd9  1  0.247  0.245  0.003  1.0
  P  P10  1  0.747  0.370  0.975  1.0
  P  P11  1  0.747  0.025  0.395  1.0
  P  P12  1  0.747  0.605  0.630  1.0
  P  P13  1  0.247  0.630  0.025  1.0
  P  P14  1  0.247  0.975  0.605  1.0
  P  P15  1  0.247  0.395  0.370  1.0
  O  O16  1  0.747  0.489  0.160  1.0
  O  O17  1  0.747  0.840  0.329  1.0
  O  O18  1  0.747  0.671  0.511  1.0
  O  O19  1  0.247  0.511  0.840  1.0
  O  O20  1  0.247  0.160  0.671  1.0
  O  O21  1  0.247  0.329  0.489  1.0
  O  O22  1  0.560  0.260  0.920  1.0
  O  O23  1  0.560  0.080  0.340  1.0
  O  O24  1  0.560  0.660  0.740  1.0
  O  O25  1  0.060  0.740  0.080  1.0
  O  O26  1  0.060  0.920  0.660  1.0
  O  O27  1  0.060  0.340  0.260  1.0
  O  O28  1  0.430  0.745  0.078  1.0
  O  O29  1  0.430  0.922  0.667  1.0
  O  O30  1  0.430  0.333  0.255  1.0
  O  O31  1  0.930  0.255  0.922  1.0
  O  O32  1  0.930  0.078  0.333  1.0
  O  O33  1  0.930  0.667  0.745  1.0
  O  O34  1  0.752  0.463  0.878  1.0
  O  O35  1  0.752  0.122  0.585  1.0
  O  O36  1  0.752  0.415  0.537  1.0
  O  O37  1  0.252  0.537  0.122  1.0
  O  O38  1  0.252  0.878  0.415  1.0
  O  O39  1  0.252  0.585  0.463  1.0
  O  O40  1  0.741  1.000  1.000  1.0
  O  O41  1  0.241  0.000  0.000  1.0
[/CIF]
.