The compound described by KMn2(MoO5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. Mo(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form MoO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. 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 Mo(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 bent 120 degrees geometry to 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 Mo(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one K(1), one Mo(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_KMn2(MoO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.979
_cell_length_b   5.979
_cell_length_c   8.523
_cell_angle_alpha   66.666
_cell_angle_beta   66.666
_cell_angle_gamma   63.309
_symmetry_Int_Tables_number   1
_cell_volume   240.928
_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
  Mo  Mo3  1  0.069  0.069  0.738  1.0
  Mo  Mo4  1  0.931  0.931  0.262  1.0
  O  O5  1  0.694  0.694  0.928  1.0
  O  O6  1  0.306  0.306  0.072  1.0
  O  O7  1  0.196  0.196  0.514  1.0
  O  O8  1  0.804  0.804  0.486  1.0
  O  O9  1  0.815  0.283  0.218  1.0
  O  O10  1  0.717  0.185  0.782  1.0
  O  O11  1  0.185  0.717  0.782  1.0
  O  O12  1  0.283  0.815  0.218  1.0
  O  O13  1  0.171  0.171  0.868  1.0
  O  O14  1  0.829  0.829  0.132  1.0
[/CIF]
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The compound described by KMn2(MoO5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. Mo(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form MoO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. 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 Mo(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 bent 120 degrees geometry to 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 Mo(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one K(1), one Mo(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_KMn2(MoO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.979
_cell_length_b   5.979
_cell_length_c   8.523
_cell_angle_alpha   66.666
_cell_angle_beta   66.666
_cell_angle_gamma   63.309
_symmetry_Int_Tables_number   1
_cell_volume   240.928
_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
  Mo  Mo3  1  0.069  0.069  0.738  1.0
  Mo  Mo4  1  0.931  0.931  0.262  1.0
  O  O5  1  0.694  0.694  0.928  1.0
  O  O6  1  0.306  0.306  0.072  1.0
  O  O7  1  0.196  0.196  0.514  1.0
  O  O8  1  0.804  0.804  0.486  1.0
  O  O9  1  0.815  0.283  0.218  1.0
  O  O10  1  0.717  0.185  0.782  1.0
  O  O11  1  0.185  0.717  0.782  1.0
  O  O12  1  0.283  0.815  0.218  1.0
  O  O13  1  0.171  0.171  0.868  1.0
  O  O14  1  0.829  0.829  0.132  1.0
[/CIF]
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