The material described by KCSbPO7 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(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 SbO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. 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 Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. 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 C(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one C(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one Sb(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one P(1) atom. is represented by the CIF card [CIF]
data_KSbPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.654
_cell_length_b   5.795
_cell_length_c   10.140
_cell_angle_alpha   88.668
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.944
_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  0.435  0.236  0.789  1.0
  K  K1  1  0.935  0.764  0.211  1.0
  Sb  Sb2  1  0.774  0.785  0.639  1.0
  Sb  Sb3  1  0.274  0.215  0.361  1.0
  P  P4  1  0.269  0.725  0.558  1.0
  P  P5  1  0.769  0.275  0.442  1.0
  C  C6  1  0.734  0.718  0.888  1.0
  C  C7  1  0.234  0.282  0.112  1.0
  O  O8  1  0.208  0.308  0.992  1.0
  O  O9  1  0.752  0.925  0.826  1.0
  O  O10  1  0.747  0.544  0.802  1.0
  O  O11  1  0.091  0.798  0.650  1.0
  O  O12  1  0.454  0.805  0.641  1.0
  O  O13  1  0.760  0.148  0.578  1.0
  O  O14  1  0.274  0.462  0.540  1.0
  O  O15  1  0.774  0.538  0.460  1.0
  O  O16  1  0.260  0.852  0.422  1.0
  O  O17  1  0.954  0.195  0.359  1.0
  O  O18  1  0.591  0.202  0.350  1.0
  O  O19  1  0.247  0.456  0.198  1.0
  O  O20  1  0.252  0.075  0.174  1.0
  O  O21  1  0.708  0.692  0.008  1.0
[/CIF]
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The material described by KCSbPO7 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(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 SbO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. 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 Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. 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 C(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one C(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one Sb(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Sb(1), and one P(1) atom. is represented by the CIF card [CIF]
data_KSbPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.654
_cell_length_b   5.795
_cell_length_c   10.140
_cell_angle_alpha   88.668
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.944
_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  0.435  0.236  0.789  1.0
  K  K1  1  0.935  0.764  0.211  1.0
  Sb  Sb2  1  0.774  0.785  0.639  1.0
  Sb  Sb3  1  0.274  0.215  0.361  1.0
  P  P4  1  0.269  0.725  0.558  1.0
  P  P5  1  0.769  0.275  0.442  1.0
  C  C6  1  0.734  0.718  0.888  1.0
  C  C7  1  0.234  0.282  0.112  1.0
  O  O8  1  0.208  0.308  0.992  1.0
  O  O9  1  0.752  0.925  0.826  1.0
  O  O10  1  0.747  0.544  0.802  1.0
  O  O11  1  0.091  0.798  0.650  1.0
  O  O12  1  0.454  0.805  0.641  1.0
  O  O13  1  0.760  0.148  0.578  1.0
  O  O14  1  0.274  0.462  0.540  1.0
  O  O15  1  0.774  0.538  0.460  1.0
  O  O16  1  0.260  0.852  0.422  1.0
  O  O17  1  0.954  0.195  0.359  1.0
  O  O18  1  0.591  0.202  0.350  1.0
  O  O19  1  0.247  0.456  0.198  1.0
  O  O20  1  0.252  0.075  0.174  1.0
  O  O21  1  0.708  0.692  0.008  1.0
[/CIF]
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