The compound described by K3CoCPO7 crystallizes in the triclinic P-1 space group. There are six inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(2), one O(4), and one O(5) atom. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(14), one O(2), one O(3), and one O(6) atom. In the third K site, K(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(3), one O(6), one O(7), and one O(8) atom. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the fifth K site, K(5) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(14), one O(4), one O(5), one O(9), and two equivalent O(7) atoms. In the sixth K site, K(6) is bonded in a 9-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(3), one O(6), one O(9), and two equivalent O(8) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(14), one O(4), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(13), one O(3), one O(5), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-43°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-43°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), one K(5), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(4), one K(6), and one C(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), one K(3), one K(6), one Co(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one K(4), one K(5), one Co(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one K(1), one K(4), one K(5), one Co(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one K(2), one K(3), one K(6), one Co(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one K(3), one K(4), two equivalent K(5), one Co(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one K(3), one K(4), two equivalent K(6), one Co(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one K(4), one K(5), one K(6), one Co(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one K(3), one K(6), one Co(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one K(1), one K(3), one K(4), one Co(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one K(2), one K(3), one K(4), one Co(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one K(1), one K(5), one K(6), one Co(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one K(2), one K(5), one K(6), one Co(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3CoPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.659
_cell_length_b   6.973
_cell_length_c   9.572
_cell_angle_alpha   90.021
_cell_angle_beta   89.881
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   377.756
_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
  C  C0  1  0.256  0.251  0.917  1.0
  C  C1  1  0.744  0.749  0.083  1.0
  Co  Co2  1  0.242  0.250  0.649  1.0
  Co  Co3  1  0.758  0.750  0.351  1.0
  K  K4  1  0.244  0.750  0.930  1.0
  K  K5  1  0.756  0.250  0.070  1.0
  K  K6  1  0.743  0.989  0.707  1.0
  K  K7  1  0.743  0.511  0.707  1.0
  K  K8  1  0.257  0.489  0.293  1.0
  K  K9  1  0.257  0.011  0.293  1.0
  O  O10  1  0.739  0.749  0.949  1.0
  O  O11  1  0.261  0.251  0.051  1.0
  O  O12  1  0.056  0.250  0.847  1.0
  O  O13  1  0.944  0.749  0.153  1.0
  O  O14  1  0.449  0.251  0.841  1.0
  O  O15  1  0.550  0.750  0.159  1.0
  O  O16  1  0.506  0.750  0.506  1.0
  O  O17  1  0.494  0.250  0.494  1.0
  O  O18  1  0.939  0.250  0.531  1.0
  O  O19  1  0.061  0.750  0.469  1.0
  O  O20  1  0.240  0.932  0.675  1.0
  O  O21  1  0.240  0.569  0.675  1.0
  O  O22  1  0.759  0.431  0.325  1.0
  O  O23  1  0.760  0.068  0.325  1.0
  P  P24  1  0.260  0.750  0.580  1.0
  P  P25  1  0.740  0.250  0.420  1.0
[/CIF]
.
The compound described by K3CoCPO7 crystallizes in the triclinic P-1 space group. There are six inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(2), one O(4), and one O(5) atom. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(14), one O(2), one O(3), and one O(6) atom. In the third K site, K(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(3), one O(6), one O(7), and one O(8) atom. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the fifth K site, K(5) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(14), one O(4), one O(5), one O(9), and two equivalent O(7) atoms. In the sixth K site, K(6) is bonded in a 9-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(3), one O(6), one O(9), and two equivalent O(8) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(14), one O(4), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(13), one O(3), one O(5), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-43°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-43°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), one K(5), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(4), one K(6), and one C(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), one K(3), one K(6), one Co(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one K(4), one K(5), one Co(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one K(1), one K(4), one K(5), one Co(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one K(2), one K(3), one K(6), one Co(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one K(3), one K(4), two equivalent K(5), one Co(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one K(3), one K(4), two equivalent K(6), one Co(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one K(4), one K(5), one K(6), one Co(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one K(3), one K(6), one Co(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one K(1), one K(3), one K(4), one Co(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one K(2), one K(3), one K(4), one Co(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one K(1), one K(5), one K(6), one Co(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one K(2), one K(5), one K(6), one Co(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3CoPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.659
_cell_length_b   6.973
_cell_length_c   9.572
_cell_angle_alpha   90.021
_cell_angle_beta   89.881
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   377.756
_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
  C  C0  1  0.256  0.251  0.917  1.0
  C  C1  1  0.744  0.749  0.083  1.0
  Co  Co2  1  0.242  0.250  0.649  1.0
  Co  Co3  1  0.758  0.750  0.351  1.0
  K  K4  1  0.244  0.750  0.930  1.0
  K  K5  1  0.756  0.250  0.070  1.0
  K  K6  1  0.743  0.989  0.707  1.0
  K  K7  1  0.743  0.511  0.707  1.0
  K  K8  1  0.257  0.489  0.293  1.0
  K  K9  1  0.257  0.011  0.293  1.0
  O  O10  1  0.739  0.749  0.949  1.0
  O  O11  1  0.261  0.251  0.051  1.0
  O  O12  1  0.056  0.250  0.847  1.0
  O  O13  1  0.944  0.749  0.153  1.0
  O  O14  1  0.449  0.251  0.841  1.0
  O  O15  1  0.550  0.750  0.159  1.0
  O  O16  1  0.506  0.750  0.506  1.0
  O  O17  1  0.494  0.250  0.494  1.0
  O  O18  1  0.939  0.250  0.531  1.0
  O  O19  1  0.061  0.750  0.469  1.0
  O  O20  1  0.240  0.932  0.675  1.0
  O  O21  1  0.240  0.569  0.675  1.0
  O  O22  1  0.759  0.431  0.325  1.0
  O  O23  1  0.760  0.068  0.325  1.0
  P  P24  1  0.260  0.750  0.580  1.0
  P  P25  1  0.740  0.250  0.420  1.0
[/CIF]
.