The material structure described by MnUO4 is Calcite-like structured and crystallizes in the orthorhombic Cmmm space group. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with eight equivalent Mn(1)O6 octahedra and edges with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with eight equivalent U(1)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent U(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one U(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_UMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.505
_cell_length_b   4.823
_cell_length_c   4.823
_cell_angle_alpha   91.026
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   81.526
_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
  U  U0  1  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  O  O2  1  0.000  0.187  0.813  1.0
  O  O3  1  0.000  0.813  0.187  1.0
  O  O4  1  0.500  0.707  0.707  1.0
  O  O5  1  0.500  0.293  0.293  1.0
[/CIF]
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The material structure described by MnUO4 is Calcite-like structured and crystallizes in the orthorhombic Cmmm space group. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with eight equivalent Mn(1)O6 octahedra and edges with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with eight equivalent U(1)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent U(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one U(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_UMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.505
_cell_length_b   4.823
_cell_length_c   4.823
_cell_angle_alpha   91.026
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   81.526
_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
  U  U0  1  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  O  O2  1  0.000  0.187  0.813  1.0
  O  O3  1  0.000  0.813  0.187  1.0
  O  O4  1  0.500  0.707  0.707  1.0
  O  O5  1  0.500  0.293  0.293  1.0
[/CIF]
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