The compound described by KSiCPO7 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(4), one O(7), and two equivalent O(5) atoms. Si(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 SiO6 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 Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-40°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one K(1), one Si(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted L-shaped geometry to one K(1), one Si(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one K(1), one Si(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 Si(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Si(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 Si(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.009
_cell_length_b   5.097
_cell_length_c   10.111
_cell_angle_alpha   88.772
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   309.618
_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  0.632  0.751  0.790  1.0
  K  K1  1  0.132  0.249  0.210  1.0
  Si  Si2  1  0.222  0.233  0.646  1.0
  Si  Si3  1  0.722  0.767  0.354  1.0
  P  P4  1  0.725  0.265  0.552  1.0
  P  P5  1  0.225  0.735  0.448  1.0
  C  C6  1  0.257  0.287  0.866  1.0
  C  C7  1  0.757  0.713  0.134  1.0
  O  O8  1  0.799  0.681  0.017  1.0
  O  O9  1  0.234  0.058  0.804  1.0
  O  O10  1  0.235  0.478  0.772  1.0
  O  O11  1  0.925  0.232  0.647  1.0
  O  O12  1  0.525  0.230  0.645  1.0
  O  O13  1  0.225  0.943  0.555  1.0
  O  O14  1  0.723  0.547  0.493  1.0
  O  O15  1  0.223  0.453  0.507  1.0
  O  O16  1  0.725  0.057  0.445  1.0
  O  O17  1  0.025  0.770  0.355  1.0
  O  O18  1  0.425  0.768  0.353  1.0
  O  O19  1  0.735  0.522  0.228  1.0
  O  O20  1  0.734  0.942  0.196  1.0
  O  O21  1  0.299  0.319  0.983  1.0
[/CIF]
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The compound described by KSiCPO7 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(4), one O(7), and two equivalent O(5) atoms. Si(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 SiO6 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 Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-40°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one K(1), one Si(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted L-shaped geometry to one K(1), one Si(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one K(1), one Si(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 Si(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Si(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 Si(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSiPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.009
_cell_length_b   5.097
_cell_length_c   10.111
_cell_angle_alpha   88.772
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   309.618
_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  0.632  0.751  0.790  1.0
  K  K1  1  0.132  0.249  0.210  1.0
  Si  Si2  1  0.222  0.233  0.646  1.0
  Si  Si3  1  0.722  0.767  0.354  1.0
  P  P4  1  0.725  0.265  0.552  1.0
  P  P5  1  0.225  0.735  0.448  1.0
  C  C6  1  0.257  0.287  0.866  1.0
  C  C7  1  0.757  0.713  0.134  1.0
  O  O8  1  0.799  0.681  0.017  1.0
  O  O9  1  0.234  0.058  0.804  1.0
  O  O10  1  0.235  0.478  0.772  1.0
  O  O11  1  0.925  0.232  0.647  1.0
  O  O12  1  0.525  0.230  0.645  1.0
  O  O13  1  0.225  0.943  0.555  1.0
  O  O14  1  0.723  0.547  0.493  1.0
  O  O15  1  0.223  0.453  0.507  1.0
  O  O16  1  0.725  0.057  0.445  1.0
  O  O17  1  0.025  0.770  0.355  1.0
  O  O18  1  0.425  0.768  0.353  1.0
  O  O19  1  0.735  0.522  0.228  1.0
  O  O20  1  0.734  0.942  0.196  1.0
  O  O21  1  0.299  0.319  0.983  1.0
[/CIF]
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