The crystal structure described by KHfCPO7 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and two equivalent O(5) atoms. Hf(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form HfO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. 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(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-33°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Hf(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Hf(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Hf(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Hf(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one K(1), one Hf(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one K(1), one Hf(1), and one P(1) atom. is represented by the CIF file [CIF]
data_KHfPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.647
_cell_length_b   5.783
_cell_length_c   9.976
_cell_angle_alpha   89.075
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.463
_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  0.550  0.748  0.782  1.0
  K  K1  1  0.050  0.252  0.218  1.0
  Hf  Hf2  1  0.225  0.222  0.653  1.0
  Hf  Hf3  1  0.725  0.778  0.347  1.0
  P  P4  1  0.731  0.271  0.551  1.0
  P  P5  1  0.231  0.729  0.449  1.0
  C  C6  1  0.268  0.279  0.905  1.0
  C  C7  1  0.768  0.721  0.095  1.0
  O  O8  1  0.795  0.694  0.974  1.0
  O  O9  1  0.257  0.072  0.844  1.0
  O  O10  1  0.248  0.451  0.813  1.0
  O  O11  1  0.917  0.230  0.641  1.0
  O  O12  1  0.542  0.229  0.638  1.0
  O  O13  1  0.237  0.901  0.567  1.0
  O  O14  1  0.731  0.521  0.494  1.0
  O  O15  1  0.231  0.479  0.506  1.0
  O  O16  1  0.737  0.099  0.433  1.0
  O  O17  1  0.042  0.771  0.362  1.0
  O  O18  1  0.417  0.770  0.359  1.0
  O  O19  1  0.748  0.549  0.187  1.0
  O  O20  1  0.757  0.928  0.156  1.0
  O  O21  1  0.295  0.306  0.026  1.0
[/CIF]
.
The crystal structure described by KHfCPO7 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and two equivalent O(5) atoms. Hf(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form HfO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. 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(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-33°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Hf(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Hf(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Hf(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Hf(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one K(1), one Hf(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one K(1), one Hf(1), and one P(1) atom. is represented by the CIF file [CIF]
data_KHfPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.647
_cell_length_b   5.783
_cell_length_c   9.976
_cell_angle_alpha   89.075
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   383.463
_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  0.550  0.748  0.782  1.0
  K  K1  1  0.050  0.252  0.218  1.0
  Hf  Hf2  1  0.225  0.222  0.653  1.0
  Hf  Hf3  1  0.725  0.778  0.347  1.0
  P  P4  1  0.731  0.271  0.551  1.0
  P  P5  1  0.231  0.729  0.449  1.0
  C  C6  1  0.268  0.279  0.905  1.0
  C  C7  1  0.768  0.721  0.095  1.0
  O  O8  1  0.795  0.694  0.974  1.0
  O  O9  1  0.257  0.072  0.844  1.0
  O  O10  1  0.248  0.451  0.813  1.0
  O  O11  1  0.917  0.230  0.641  1.0
  O  O12  1  0.542  0.229  0.638  1.0
  O  O13  1  0.237  0.901  0.567  1.0
  O  O14  1  0.731  0.521  0.494  1.0
  O  O15  1  0.231  0.479  0.506  1.0
  O  O16  1  0.737  0.099  0.433  1.0
  O  O17  1  0.042  0.771  0.362  1.0
  O  O18  1  0.417  0.770  0.359  1.0
  O  O19  1  0.748  0.549  0.187  1.0
  O  O20  1  0.757  0.928  0.156  1.0
  O  O21  1  0.295  0.306  0.026  1.0
[/CIF]
.