data_CdCo3(PO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39
_cell_length_b   7.39
_cell_length_c   10.04
_cell_angle_alpha   112.68
_cell_angle_beta   112.68
_cell_angle_gamma   70.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo3(PO3)8
_chemical_formula_sum   'Cd1 Co3 P8 O24'
_cell_volume   456.4
_cell_formula_units_Z   1
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  0.67  0.43  0.43  1.0
  Co  Co1  1  0.85  0.89  0.18  1.0
  Co  Co2  1  0.48  0.89  0.67  1.0
  Co  Co3  1  0.04  0.62  0.0  1.0
  P  P4  1  0.14  0.96  0.92  1.0
  P  P5  1  0.19  0.96  0.93  1.0
  P  P6  1  0.86  0.03  0.43  1.0
  P  P7  1  0.47  0.03  0.42  1.0
  P  P8  1  0.71  0.69  0.47  1.0
  P  P9  1  0.63  0.69  0.38  1.0
  P  P10  1  0.28  0.29  0.92  1.0
  P  P11  1  0.05  0.29  0.93  1.0
  O  O12  1  0.43  0.87  0.95  1.0
  O  O13  1  0.9  0.87  0.9  1.0
  O  O14  1  0.59  0.08  0.45  1.0
  O  O15  1  0.74  0.08  0.4  1.0
  O  O16  1  0.84  0.7  0.11  1.0
  O  O17  1  0.49  0.7  0.74  1.0
  O  O18  1  0.19  0.32  0.24  1.0
  O  O19  1  0.14  0.32  0.61  1.0
  O  O20  1  0.76  0.06  0.2  1.0
  O  O21  1  0.57  0.06  0.65  1.0
  O  O22  1  0.21  0.89  0.15  1.0
  O  O23  1  0.12  0.89  0.7  1.0
  O  O24  1  0.3  0.72  0.24  1.0
  O  O25  1  0.03  0.72  0.61  1.0
  O  O26  1  0.69  0.25  0.15  1.0
  O  O27  1  0.64  0.25  0.7  1.0
  O  O28  1  0.48  0.94  0.36  1.0
  O  O29  1  0.85  0.94  0.49  1.0
  O  O30  1  0.5  0.13  0.02  1.0
  O  O31  1  0.83  0.13  0.83  1.0
  O  O32  1  0.41  0.32  0.61  1.0
  O  O33  1  0.92  0.32  0.24  1.0
  O  O34  1  0.32  0.69  0.87  1.0
  O  O35  1  0.02  0.69  0.98  1.0

data_CdCo3(PO3)8
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.39
_cell_length_b   7.39
_cell_length_c   9.91
_cell_angle_alpha   98.18
_cell_angle_beta   110.82
_cell_angle_gamma   109.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo3(PO3)8
_chemical_formula_sum   'Cd1 Co3 P8 O24'
_cell_volume   456.4
_cell_formula_units_Z   1
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  0.24  0.57  0.57  1.0
  Co  Co1  1  0.04  0.38  -0.0  1.0
  Co  Co2  1  0.66  0.11  0.82  1.0
  Co  Co3  1  0.82  0.11  0.33  1.0
  P  P4  1  0.06  0.97  0.58  1.0
  P  P5  1  0.12  0.71  0.07  1.0
  P  P6  1  0.22  0.04  0.08  1.0
  P  P7  1  0.24  0.31  0.53  1.0
  P  P8  1  0.24  0.31  0.62  1.0
  P  P9  1  0.26  0.04  0.07  1.0
  P  P10  1  0.36  0.71  0.08  1.0
  P  P11  1  0.42  0.97  0.57  1.0
  O  O12  1  0.0  0.87  0.17  1.0
  O  O13  1  0.0  0.13  0.1  1.0
  O  O14  1  0.04  0.31  0.02  1.0
  O  O15  1  0.06  0.11  0.85  1.0
  O  O16  1  0.06  0.28  0.76  1.0
  O  O17  1  0.13  0.06  0.64  1.0
  O  O18  1  0.14  0.92  0.55  1.0
  O  O19  1  0.34  0.92  0.6  1.0
  O  O20  1  0.35  0.06  0.51  1.0
  O  O21  1  0.42  0.28  0.39  1.0
  O  O22  1  0.42  0.11  0.3  1.0
  O  O23  1  0.44  0.31  0.13  1.0
  O  O24  1  0.48  0.13  0.05  1.0
  O  O25  1  0.48  0.87  0.98  1.0
  O  O26  1  0.54  0.68  0.39  1.0
  O  O27  1  0.54  0.75  0.85  1.0
  O  O28  1  0.56  0.94  0.8  1.0
  O  O29  1  0.68  0.68  0.76  1.0
  O  O30  1  0.74  0.3  0.89  1.0
  O  O31  1  0.74  0.3  0.26  1.0
  O  O32  1  0.8  0.68  0.39  1.0
  O  O33  1  0.92  0.94  0.35  1.0
  O  O34  1  0.94  0.75  0.3  1.0
  O  O35  1  0.94  0.68  0.76  1.0

Cd Co Co Co P P P P P P P P O O O O O O O O O O O O O O O O O O O O O O O O
Cd Co Co Co P P P P P P P P O O O O O O O O O O O O O O O O O O O O O O O O 0 15 o o o 0 9 o o o 0 8 o o o 1 16 o o o 1 20 o + o 2 17 o o o 2 21 o + o 3 35 o o - 4 5 o o o 4 12 o o o 4 13 - o o 4 34 o o o 5 12 o o o 5 34 o o o 6 15 o o o 6 29 o - o 7 28 o - o 7 14 o o o 8 9 o o o 10 11 o o o 10 30 o o + 11 31 - o o 12 34 o o o 12 30 o + + 12 17 o o o 13 35 + o o 13 31 o + o 17 34 o o o 18 33 - o o 19 32 o o o 20 26 o o o 21 27 o o o 21 31 o o o 22 24 o o o 23 25 o o o 26 30 o o o 26 33 o o o 27 32 o o o 27 31 o o o 
Co3Cd(PO3)8 crystallizes in the triclinic P1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a bent 150 degrees geometry to one O(5) and one O(9) atom. The Co(1)-O(5) bond length is 1.32 Å. The Co(1)-O(9) bond length is 1.14 Å. In the second Co site, Co(2) is bonded in a bent 150 degrees geometry to one O(10) and one O(6) atom. The Co(2)-O(10) bond length is 1.62 Å. The Co(2)-O(6) bond length is 1.84 Å. In the third Co site, Co(3) is bonded in a single-bond geometry to one P(8), one O(13), one O(24), and one O(5) atom. The Co(3)-P(8) bond length is 2.23 Å. The Co(3)-O(13) bond length is 2.48 Å. The Co(3)-O(24) bond length is 0.58 Å. The Co(3)-O(5) bond length is 1.91 Å. Cd(1) is bonded in a 4-coordinate geometry to one P(5), one P(6), one O(15), and one O(4) atom. The Cd(1)-P(5) bond length is 1.93 Å. The Cd(1)-P(6) bond length is 2.05 Å. The Cd(1)-O(15) bond length is 2.60 Å. The Cd(1)-O(4) bond length is 2.36 Å. There are eight inequivalent P sites. In the first P site, P(1) is bonded in a distorted single-bond geometry to one P(2), one O(11), one O(12), one O(2), one O(20), and one O(23) atom. The P(1)-P(2) bond length is 0.31 Å. The P(1)-O(11) bond length is 2.30 Å. The P(1)-O(12) bond length is 2.02 Å. The P(1)-O(2) bond length is 2.00 Å. The P(1)-O(20) bond length is 2.30 Å. The P(1)-O(23) bond length is 1.95 Å. In the second P site, P(2) is bonded in a 4-coordinate geometry to one P(1), one O(1), one O(12), and one O(23) atom. The P(2)-O(1) bond length is 1.66 Å. The P(2)-O(12) bond length is 1.98 Å. The P(2)-O(23) bond length is 1.84 Å. In the third P site, P(3) is bonded in a distorted water-like geometry to one O(18) and one O(4) atom. The P(3)-O(18) bond length is 1.06 Å. The P(3)-O(4) bond length is 0.83 Å. In the fourth P site, P(4) is bonded in a water-like geometry to one O(17), one O(21), and one O(3) atom. The P(4)-O(17) bond length is 0.69 Å. The P(4)-O(21) bond length is 2.32 Å. The P(4)-O(3) bond length is 0.98 Å. In the fifth P site, P(5) is bonded in a 4-coordinate geometry to one Cd(1), one P(6), one O(14), and one O(18) atom. The P(5)-P(6) bond length is 0.82 Å. The P(5)-O(14) bond length is 2.30 Å. The P(5)-O(18) bond length is 2.31 Å. In the sixth P site, P(6) is bonded in a 4-coordinate geometry to one Cd(1), one P(5), one O(13), and one O(17) atom. The P(6)-O(13) bond length is 2.26 Å. The P(6)-O(17) bond length is 1.87 Å. In the seventh P site, P(7) is bonded in a distorted single-bond geometry to one P(8) and one O(19) atom. The P(7)-P(8) bond length is 1.70 Å. The P(7)-O(19) bond length is 1.87 Å. In the eighth P site, P(8) is bonded in a 3-coordinate geometry to one Co(3), one P(7), and one O(20) atom. The P(8)-O(20) bond length is 2.06 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one P(2) and one O(23) atom. The O(1)-O(23) bond length is 1.60 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one P(1) and one O(24) atom. The O(2)-O(24) bond length is 1.65 Å. In the third O site, O(3) is bonded in a single-bond geometry to one P(4) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cd(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Co(1) and one Co(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Co(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one O(22) atom. The O(7)-O(22) bond length is 1.95 Å. In the eighth O site, O(8) is bonded in a single-bond geometry to one O(21) atom. The O(8)-O(21) bond length is 1.93 Å. In the ninth O site, O(9) is bonded in a single-bond geometry to one Co(1) and one O(15) atom. The O(9)-O(15) bond length is 1.54 Å. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Co(2) and one O(16) atom. The O(10)-O(16) bond length is 1.50 Å. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one P(1) and one O(13) atom. The O(11)-O(13) bond length is 1.66 Å. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one P(1), one P(2), and one O(14) atom. The O(12)-O(14) bond length is 1.45 Å. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Co(3), one P(6), and one O(11) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one P(5) and one O(12) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal pyramidal geometry to one Cd(1), one O(19), one O(22), and one O(9) atom. The O(15)-O(19) bond length is 1.71 Å. The O(15)-O(22) bond length is 1.74 Å. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one O(10), one O(20), and one O(21) atom. The O(16)-O(20) bond length is 1.74 Å. The O(16)-O(21) bond length is 1.60 Å. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one P(4) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one P(3) and one P(5) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one P(7) and one O(15) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one P(1), one P(8), and one O(16) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one P(4), one O(16), and one O(8) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one O(15) and one O(7) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one P(1), one P(2), and one O(1) atom. In the twenty-fourth O site, O(24) is bonded in a single-bond geometry to one Co(3) and one O(2) atom.