The material structure described by Co3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(13), one O(15), one O(16), one O(3), one O(4), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Co(3)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Co(3)O5 trigonal bipyramid. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(13), one O(14), and one O(4) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(14), one O(16), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  a cornercorner with one Co(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-51°. In the second P site, P(2) is bonded to one O(11), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. In the third P site, P(3) is bonded to one O(10), one O(13), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-53°. In the fourth P site, P(4) is bonded to one O(12), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Co(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(2) and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(2) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Co(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one P(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Co(3) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Co(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.519
_cell_length_b   8.647
_cell_length_c   9.174
_cell_angle_alpha   67.887
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.627
_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
  Co  Co0  1  0.986  0.996  0.245  1.0
  Co  Co1  1  0.506  0.501  0.258  1.0
  Co  Co2  1  0.869  0.894  0.764  1.0
  Co  Co3  1  0.006  0.499  0.742  1.0
  Co  Co4  1  0.369  0.106  0.236  1.0
  Co  Co5  1  0.486  0.004  0.755  1.0
  P  P6  1  0.300  0.856  0.086  1.0
  P  P7  1  0.816  0.636  0.410  1.0
  P  P8  1  0.200  0.857  0.581  1.0
  P  P9  1  0.173  0.370  0.080  1.0
  P  P10  1  0.316  0.364  0.590  1.0
  P  P11  1  0.673  0.630  0.920  1.0
  P  P12  1  0.700  0.143  0.419  1.0
  P  P13  1  0.800  0.144  0.914  1.0
  O  O14  1  0.867  0.322  0.884  1.0
  O  O15  1  0.146  0.678  0.606  1.0
  O  O16  1  0.608  0.147  0.850  1.0
  O  O17  1  0.152  0.173  0.117  1.0
  O  O18  1  0.386  0.861  0.653  1.0
  O  O19  1  0.686  0.536  0.099  1.0
  O  O20  1  0.323  0.470  0.408  1.0
  O  O21  1  0.886  0.139  0.347  1.0
  O  O22  1  0.964  0.546  0.355  1.0
  O  O23  1  0.530  0.548  0.861  1.0
  O  O24  1  0.066  0.953  0.642  1.0
  O  O25  1  0.631  0.644  0.336  1.0
  O  O26  1  0.861  0.654  0.831  1.0
  O  O27  1  0.201  0.958  0.397  1.0
  O  O28  1  0.930  0.052  0.844  1.0
  O  O29  1  0.131  0.356  0.664  1.0
  O  O30  1  0.364  0.184  0.607  1.0
  O  O31  1  0.361  0.346  0.169  1.0
  O  O32  1  0.108  0.853  0.150  1.0
  O  O33  1  0.652  0.827  0.883  1.0
  O  O34  1  0.186  0.464  0.901  1.0
  O  O35  1  0.566  0.047  0.358  1.0
  O  O36  1  0.646  0.322  0.394  1.0
  O  O37  1  0.823  0.530  0.592  1.0
  O  O38  1  0.864  0.816  0.393  1.0
  O  O39  1  0.294  0.949  0.903  1.0
  O  O40  1  0.794  0.051  0.097  1.0
  O  O41  1  0.430  0.948  0.156  1.0
  O  O42  1  0.701  0.042  0.603  1.0
  O  O43  1  0.367  0.678  0.116  1.0
  O  O44  1  0.464  0.454  0.645  1.0
  O  O45  1  0.030  0.452  0.139  1.0
[/CIF]
.
The material structure described by Co3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(13), one O(15), one O(16), one O(3), one O(4), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Co(3)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Co(3)O5 trigonal bipyramid. In the third Co site, Co(3) is bonded to one O(10), one O(12), one O(13), one O(14), and one O(4) atom to form CoO5 trigonal bipyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(14), one O(16), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  a cornercorner with one Co(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-51°. In the second P site, P(2) is bonded to one O(11), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. In the third P site, P(3) is bonded to one O(10), one O(13), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-53°. In the fourth P site, P(4) is bonded to one O(12), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Co(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(2) and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(2) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Co(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one P(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Co(3) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Co(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.519
_cell_length_b   8.647
_cell_length_c   9.174
_cell_angle_alpha   67.887
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   552.627
_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
  Co  Co0  1  0.986  0.996  0.245  1.0
  Co  Co1  1  0.506  0.501  0.258  1.0
  Co  Co2  1  0.869  0.894  0.764  1.0
  Co  Co3  1  0.006  0.499  0.742  1.0
  Co  Co4  1  0.369  0.106  0.236  1.0
  Co  Co5  1  0.486  0.004  0.755  1.0
  P  P6  1  0.300  0.856  0.086  1.0
  P  P7  1  0.816  0.636  0.410  1.0
  P  P8  1  0.200  0.857  0.581  1.0
  P  P9  1  0.173  0.370  0.080  1.0
  P  P10  1  0.316  0.364  0.590  1.0
  P  P11  1  0.673  0.630  0.920  1.0
  P  P12  1  0.700  0.143  0.419  1.0
  P  P13  1  0.800  0.144  0.914  1.0
  O  O14  1  0.867  0.322  0.884  1.0
  O  O15  1  0.146  0.678  0.606  1.0
  O  O16  1  0.608  0.147  0.850  1.0
  O  O17  1  0.152  0.173  0.117  1.0
  O  O18  1  0.386  0.861  0.653  1.0
  O  O19  1  0.686  0.536  0.099  1.0
  O  O20  1  0.323  0.470  0.408  1.0
  O  O21  1  0.886  0.139  0.347  1.0
  O  O22  1  0.964  0.546  0.355  1.0
  O  O23  1  0.530  0.548  0.861  1.0
  O  O24  1  0.066  0.953  0.642  1.0
  O  O25  1  0.631  0.644  0.336  1.0
  O  O26  1  0.861  0.654  0.831  1.0
  O  O27  1  0.201  0.958  0.397  1.0
  O  O28  1  0.930  0.052  0.844  1.0
  O  O29  1  0.131  0.356  0.664  1.0
  O  O30  1  0.364  0.184  0.607  1.0
  O  O31  1  0.361  0.346  0.169  1.0
  O  O32  1  0.108  0.853  0.150  1.0
  O  O33  1  0.652  0.827  0.883  1.0
  O  O34  1  0.186  0.464  0.901  1.0
  O  O35  1  0.566  0.047  0.358  1.0
  O  O36  1  0.646  0.322  0.394  1.0
  O  O37  1  0.823  0.530  0.592  1.0
  O  O38  1  0.864  0.816  0.393  1.0
  O  O39  1  0.294  0.949  0.903  1.0
  O  O40  1  0.794  0.051  0.097  1.0
  O  O41  1  0.430  0.948  0.156  1.0
  O  O42  1  0.701  0.042  0.603  1.0
  O  O43  1  0.367  0.678  0.116  1.0
  O  O44  1  0.464  0.454  0.645  1.0
  O  O45  1  0.030  0.452  0.139  1.0
[/CIF]
.