The structure described by KCr2Mn2O10 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CrO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Cr(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Cr(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one Cr(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMn2Cr2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.705
_cell_length_b   5.705
_cell_length_c   8.276
_cell_angle_alpha   68.774
_cell_angle_beta   68.774
_cell_angle_gamma   65.543
_symmetry_Int_Tables_number   1
_cell_volume   221.326
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.000  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Cr  Cr3  1  0.074  0.074  0.733  1.0
  Cr  Cr4  1  0.926  0.926  0.267  1.0
  O  O5  1  0.185  0.185  0.849  1.0
  O  O6  1  0.815  0.815  0.151  1.0
  O  O7  1  0.186  0.186  0.521  1.0
  O  O8  1  0.814  0.814  0.479  1.0
  O  O9  1  0.740  0.181  0.786  1.0
  O  O10  1  0.181  0.740  0.786  1.0
  O  O11  1  0.260  0.819  0.214  1.0
  O  O12  1  0.819  0.260  0.214  1.0
  O  O13  1  0.688  0.688  0.925  1.0
  O  O14  1  0.312  0.312  0.075  1.0
[/CIF]
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The structure described by KCr2Mn2O10 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CrO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Cr(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Cr(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one Cr(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMn2Cr2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.705
_cell_length_b   5.705
_cell_length_c   8.276
_cell_angle_alpha   68.774
_cell_angle_beta   68.774
_cell_angle_gamma   65.543
_symmetry_Int_Tables_number   1
_cell_volume   221.326
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.500  0.000  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Cr  Cr3  1  0.074  0.074  0.733  1.0
  Cr  Cr4  1  0.926  0.926  0.267  1.0
  O  O5  1  0.185  0.185  0.849  1.0
  O  O6  1  0.815  0.815  0.151  1.0
  O  O7  1  0.186  0.186  0.521  1.0
  O  O8  1  0.814  0.814  0.479  1.0
  O  O9  1  0.740  0.181  0.786  1.0
  O  O10  1  0.181  0.740  0.786  1.0
  O  O11  1  0.260  0.819  0.214  1.0
  O  O12  1  0.819  0.260  0.214  1.0
  O  O13  1  0.688  0.688  0.925  1.0
  O  O14  1  0.312  0.312  0.075  1.0
[/CIF]
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