The compound described by K2CrCPO7 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. Cr(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form CrO6 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(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-39°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Cr(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent K(1), one Cr(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent K(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Cr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_K2CrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.725
_cell_length_b   6.698
_cell_length_c   5.586
_cell_angle_alpha   90.001
_cell_angle_beta   89.553
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   363.871
_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  0.242  0.476  0.244  1.0
  K  K1  1  0.242  0.024  0.244  1.0
  K  K2  1  0.758  0.524  0.756  1.0
  K  K3  1  0.758  0.976  0.756  1.0
  Cr  Cr4  1  0.358  0.750  0.772  1.0
  Cr  Cr5  1  0.642  0.250  0.228  1.0
  P  P6  1  0.433  0.250  0.724  1.0
  P  P7  1  0.567  0.750  0.276  1.0
  C  C8  1  0.105  0.750  0.729  1.0
  C  C9  1  0.895  0.250  0.271  1.0
  O  O10  1  0.022  0.250  0.296  1.0
  O  O11  1  0.169  0.750  0.936  1.0
  O  O12  1  0.195  0.750  0.548  1.0
  O  O13  1  0.344  0.061  0.771  1.0
  O  O14  1  0.344  0.439  0.771  1.0
  O  O15  1  0.440  0.750  0.107  1.0
  O  O16  1  0.480  0.250  0.455  1.0
  O  O17  1  0.520  0.750  0.545  1.0
  O  O18  1  0.560  0.250  0.893  1.0
  O  O19  1  0.656  0.561  0.229  1.0
  O  O20  1  0.656  0.939  0.229  1.0
  O  O21  1  0.805  0.250  0.452  1.0
  O  O22  1  0.831  0.250  0.064  1.0
  O  O23  1  0.978  0.750  0.704  1.0
[/CIF]
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The compound described by K2CrCPO7 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. Cr(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form CrO6 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(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-39°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Cr(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent K(1), one Cr(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent K(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Cr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_K2CrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.725
_cell_length_b   6.698
_cell_length_c   5.586
_cell_angle_alpha   90.001
_cell_angle_beta   89.553
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   363.871
_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  0.242  0.476  0.244  1.0
  K  K1  1  0.242  0.024  0.244  1.0
  K  K2  1  0.758  0.524  0.756  1.0
  K  K3  1  0.758  0.976  0.756  1.0
  Cr  Cr4  1  0.358  0.750  0.772  1.0
  Cr  Cr5  1  0.642  0.250  0.228  1.0
  P  P6  1  0.433  0.250  0.724  1.0
  P  P7  1  0.567  0.750  0.276  1.0
  C  C8  1  0.105  0.750  0.729  1.0
  C  C9  1  0.895  0.250  0.271  1.0
  O  O10  1  0.022  0.250  0.296  1.0
  O  O11  1  0.169  0.750  0.936  1.0
  O  O12  1  0.195  0.750  0.548  1.0
  O  O13  1  0.344  0.061  0.771  1.0
  O  O14  1  0.344  0.439  0.771  1.0
  O  O15  1  0.440  0.750  0.107  1.0
  O  O16  1  0.480  0.250  0.455  1.0
  O  O17  1  0.520  0.750  0.545  1.0
  O  O18  1  0.560  0.250  0.893  1.0
  O  O19  1  0.656  0.561  0.229  1.0
  O  O20  1  0.656  0.939  0.229  1.0
  O  O21  1  0.805  0.250  0.452  1.0
  O  O22  1  0.831  0.250  0.064  1.0
  O  O23  1  0.978  0.750  0.704  1.0
[/CIF]
.