The compound described by K3ZnCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second K site, K(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted KO7 pentagonal bipyramids that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent K(2)O7 pentagonal bipyramids, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra,  an edgeedge with one K(2)O7 pentagonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra,  a faceface with one Zn(1)O6 octahedra, and  a faceface with one K(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 73°. Zn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with two equivalent K(2)O7 pentagonal bipyramids, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent K(2)O7 pentagonal bipyramids, and faces with two equivalent K(2)O7 pentagonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra, corners with four equivalent K(2)O7 pentagonal bipyramids, and edges with two equivalent K(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 30-43°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Zn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Zn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(2), one Zn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(2), one Zn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3ZnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.012
_cell_length_b   5.606
_cell_length_c   9.682
_cell_angle_alpha   89.366
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   380.598
_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  0.250  0.762  0.922  1.0
  K  K1  1  0.011  0.259  0.728  1.0
  K  K2  1  0.489  0.259  0.728  1.0
  K  K3  1  0.511  0.741  0.272  1.0
  K  K4  1  0.989  0.741  0.272  1.0
  K  K5  1  0.750  0.238  0.078  1.0
  Zn  Zn6  1  0.750  0.774  0.635  1.0
  Zn  Zn7  1  0.250  0.226  0.365  1.0
  P  P8  1  0.250  0.719  0.574  1.0
  P  P9  1  0.750  0.281  0.426  1.0
  C  C10  1  0.750  0.741  0.913  1.0
  C  C11  1  0.250  0.259  0.087  1.0
  O  O12  1  0.250  0.264  0.953  1.0
  O  O13  1  0.750  0.942  0.844  1.0
  O  O14  1  0.750  0.544  0.842  1.0
  O  O15  1  0.070  0.759  0.666  1.0
  O  O16  1  0.430  0.759  0.666  1.0
  O  O17  1  0.250  0.453  0.524  1.0
  O  O18  1  0.750  0.112  0.554  1.0
  O  O19  1  0.250  0.888  0.446  1.0
  O  O20  1  0.750  0.547  0.476  1.0
  O  O21  1  0.570  0.241  0.334  1.0
  O  O22  1  0.930  0.241  0.334  1.0
  O  O23  1  0.250  0.456  0.158  1.0
  O  O24  1  0.250  0.058  0.156  1.0
  O  O25  1  0.750  0.736  0.047  1.0
[/CIF]
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The compound described by K3ZnCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second K site, K(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted KO7 pentagonal bipyramids that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent K(2)O7 pentagonal bipyramids, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra,  an edgeedge with one K(2)O7 pentagonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra,  a faceface with one Zn(1)O6 octahedra, and  a faceface with one K(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 73°. Zn(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with two equivalent K(2)O7 pentagonal bipyramids, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent K(2)O7 pentagonal bipyramids, and faces with two equivalent K(2)O7 pentagonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra, corners with four equivalent K(2)O7 pentagonal bipyramids, and edges with two equivalent K(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 30-43°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Zn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Zn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(2), one Zn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(2), one Zn(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3ZnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.012
_cell_length_b   5.606
_cell_length_c   9.682
_cell_angle_alpha   89.366
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   380.598
_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  0.250  0.762  0.922  1.0
  K  K1  1  0.011  0.259  0.728  1.0
  K  K2  1  0.489  0.259  0.728  1.0
  K  K3  1  0.511  0.741  0.272  1.0
  K  K4  1  0.989  0.741  0.272  1.0
  K  K5  1  0.750  0.238  0.078  1.0
  Zn  Zn6  1  0.750  0.774  0.635  1.0
  Zn  Zn7  1  0.250  0.226  0.365  1.0
  P  P8  1  0.250  0.719  0.574  1.0
  P  P9  1  0.750  0.281  0.426  1.0
  C  C10  1  0.750  0.741  0.913  1.0
  C  C11  1  0.250  0.259  0.087  1.0
  O  O12  1  0.250  0.264  0.953  1.0
  O  O13  1  0.750  0.942  0.844  1.0
  O  O14  1  0.750  0.544  0.842  1.0
  O  O15  1  0.070  0.759  0.666  1.0
  O  O16  1  0.430  0.759  0.666  1.0
  O  O17  1  0.250  0.453  0.524  1.0
  O  O18  1  0.750  0.112  0.554  1.0
  O  O19  1  0.250  0.888  0.446  1.0
  O  O20  1  0.750  0.547  0.476  1.0
  O  O21  1  0.570  0.241  0.334  1.0
  O  O22  1  0.930  0.241  0.334  1.0
  O  O23  1  0.250  0.456  0.158  1.0
  O  O24  1  0.250  0.058  0.156  1.0
  O  O25  1  0.750  0.736  0.047  1.0
[/CIF]
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