The material described by KCoP3O9 crystallizes in the hexagonal P-6c2 space group. K(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Co(1), and one P(1) atom. is represented by the CIF file [CIF]
data_KCo(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.729
_cell_length_b   6.729
_cell_length_c   9.950
_cell_angle_alpha   90.003
_cell_angle_beta   89.995
_cell_angle_gamma   120.045
_symmetry_Int_Tables_number   1
_cell_volume   390.046
_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
  K  K0  1  1.000  0.000  0.500  1.0
  K  K1  1  1.000  0.000  0.000  1.0
  Co  Co2  1  0.667  0.333  0.000  1.0
  Co  Co3  1  0.667  0.333  0.500  1.0
  P  P4  1  0.558  0.949  0.750  1.0
  P  P5  1  0.392  0.443  0.750  1.0
  P  P6  1  0.051  0.609  0.750  1.0
  P  P7  1  0.391  0.949  0.250  1.0
  P  P8  1  0.051  0.442  0.250  1.0
  P  P9  1  0.557  0.608  0.250  1.0
  O  O10  1  0.285  0.856  0.750  1.0
  O  O11  1  0.571  0.715  0.750  1.0
  O  O12  1  0.144  0.429  0.750  1.0
  O  O13  1  0.571  0.856  0.250  1.0
  O  O14  1  0.144  0.715  0.250  1.0
  O  O15  1  0.285  0.429  0.250  1.0
  O  O16  1  0.662  0.070  0.880  1.0
  O  O17  1  0.409  0.339  0.880  1.0
  O  O18  1  0.930  0.592  0.880  1.0
  O  O19  1  0.662  0.070  0.620  1.0
  O  O20  1  0.408  0.339  0.620  1.0
  O  O21  1  0.929  0.591  0.620  1.0
  O  O22  1  0.409  0.071  0.380  1.0
  O  O23  1  0.930  0.338  0.380  1.0
  O  O24  1  0.662  0.592  0.380  1.0
  O  O25  1  0.408  0.070  0.120  1.0
  O  O26  1  0.930  0.338  0.120  1.0
  O  O27  1  0.661  0.591  0.120  1.0
[/CIF]
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The material described by KCoP3O9 crystallizes in the hexagonal P-6c2 space group. K(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Co(1), and one P(1) atom. is represented by the CIF file [CIF]
data_KCo(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.729
_cell_length_b   6.729
_cell_length_c   9.950
_cell_angle_alpha   90.003
_cell_angle_beta   89.995
_cell_angle_gamma   120.045
_symmetry_Int_Tables_number   1
_cell_volume   390.046
_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
  K  K0  1  1.000  0.000  0.500  1.0
  K  K1  1  1.000  0.000  0.000  1.0
  Co  Co2  1  0.667  0.333  0.000  1.0
  Co  Co3  1  0.667  0.333  0.500  1.0
  P  P4  1  0.558  0.949  0.750  1.0
  P  P5  1  0.392  0.443  0.750  1.0
  P  P6  1  0.051  0.609  0.750  1.0
  P  P7  1  0.391  0.949  0.250  1.0
  P  P8  1  0.051  0.442  0.250  1.0
  P  P9  1  0.557  0.608  0.250  1.0
  O  O10  1  0.285  0.856  0.750  1.0
  O  O11  1  0.571  0.715  0.750  1.0
  O  O12  1  0.144  0.429  0.750  1.0
  O  O13  1  0.571  0.856  0.250  1.0
  O  O14  1  0.144  0.715  0.250  1.0
  O  O15  1  0.285  0.429  0.250  1.0
  O  O16  1  0.662  0.070  0.880  1.0
  O  O17  1  0.409  0.339  0.880  1.0
  O  O18  1  0.930  0.592  0.880  1.0
  O  O19  1  0.662  0.070  0.620  1.0
  O  O20  1  0.408  0.339  0.620  1.0
  O  O21  1  0.929  0.591  0.620  1.0
  O  O22  1  0.409  0.071  0.380  1.0
  O  O23  1  0.930  0.338  0.380  1.0
  O  O24  1  0.662  0.592  0.380  1.0
  O  O25  1  0.408  0.070  0.120  1.0
  O  O26  1  0.930  0.338  0.120  1.0
  O  O27  1  0.661  0.591  0.120  1.0
[/CIF]
.