The material described by KCr(MoO4)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 8-coordinate geometry to two O(1,1); two O(4,4); and four O(2,2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with three Cr(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. In the second Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with three Cr(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with six Mo(1,1)O4 tetrahedra. In the second Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with six Mo(1,1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1), one Mo(1), and one Cr(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1), one Mo(1), and one Cr(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the seventh O site, O(4) is bonded in a distorted trigonal planar geometry to one K(1), one Mo(1), and one Cr(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to one K(1), one Mo(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_KCr(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.671
_cell_length_b   8.997
_cell_length_c   9.195
_cell_angle_alpha   118.045
_cell_angle_beta   72.030
_cell_angle_gamma   89.993
_symmetry_Int_Tables_number   1
_cell_volume   387.921
_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  0.821  0.250  1.000  1.0
  K  K1  1  0.179  0.750  0.000  1.0
  Cr  Cr2  1  1.000  0.000  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.500  1.0
  Mo  Mo4  1  0.876  0.734  0.701  1.0
  Mo  Mo5  1  0.577  0.766  0.299  1.0
  Mo  Mo6  1  0.124  0.266  0.299  1.0
  Mo  Mo7  1  0.423  0.234  0.701  1.0
  O  O8  1  0.863  0.421  0.357  1.0
  O  O9  1  0.137  0.579  0.643  1.0
  O  O10  1  0.220  0.079  0.643  1.0
  O  O11  1  0.780  0.921  0.357  1.0
  O  O12  1  0.173  0.104  0.089  1.0
  O  O13  1  0.827  0.896  0.911  1.0
  O  O14  1  0.262  0.396  0.910  1.0
  O  O15  1  0.738  0.604  0.090  1.0
  O  O16  1  0.057  0.183  0.444  1.0
  O  O17  1  0.943  0.817  0.556  1.0
  O  O18  1  0.501  0.317  0.555  1.0
  O  O19  1  0.499  0.683  0.445  1.0
  O  O20  1  0.702  0.146  0.706  1.0
  O  O21  1  0.298  0.854  0.294  1.0
  O  O22  1  0.409  0.354  0.293  1.0
  O  O23  1  0.591  0.646  0.706  1.0
[/CIF]
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The material described by KCr(MoO4)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 8-coordinate geometry to two O(1,1); two O(4,4); and four O(2,2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with three Cr(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. In the second Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with three Cr(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with six Mo(1,1)O4 tetrahedra. In the second Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with six Mo(1,1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1), one Mo(1), and one Cr(1) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1), one Mo(1), and one Cr(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Mo(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the seventh O site, O(4) is bonded in a distorted trigonal planar geometry to one K(1), one Mo(1), and one Cr(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to one K(1), one Mo(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_KCr(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.671
_cell_length_b   8.997
_cell_length_c   9.195
_cell_angle_alpha   118.045
_cell_angle_beta   72.030
_cell_angle_gamma   89.993
_symmetry_Int_Tables_number   1
_cell_volume   387.921
_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  0.821  0.250  1.000  1.0
  K  K1  1  0.179  0.750  0.000  1.0
  Cr  Cr2  1  1.000  0.000  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.500  1.0
  Mo  Mo4  1  0.876  0.734  0.701  1.0
  Mo  Mo5  1  0.577  0.766  0.299  1.0
  Mo  Mo6  1  0.124  0.266  0.299  1.0
  Mo  Mo7  1  0.423  0.234  0.701  1.0
  O  O8  1  0.863  0.421  0.357  1.0
  O  O9  1  0.137  0.579  0.643  1.0
  O  O10  1  0.220  0.079  0.643  1.0
  O  O11  1  0.780  0.921  0.357  1.0
  O  O12  1  0.173  0.104  0.089  1.0
  O  O13  1  0.827  0.896  0.911  1.0
  O  O14  1  0.262  0.396  0.910  1.0
  O  O15  1  0.738  0.604  0.090  1.0
  O  O16  1  0.057  0.183  0.444  1.0
  O  O17  1  0.943  0.817  0.556  1.0
  O  O18  1  0.501  0.317  0.555  1.0
  O  O19  1  0.499  0.683  0.445  1.0
  O  O20  1  0.702  0.146  0.706  1.0
  O  O21  1  0.298  0.854  0.294  1.0
  O  O22  1  0.409  0.354  0.293  1.0
  O  O23  1  0.591  0.646  0.706  1.0
[/CIF]
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