The material described by MnUO4 is Calcite-like structured and crystallizes in the orthorhombic Imma 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 50-57°. 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 50-57°. 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 trigonal planar geometry to one U(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_UMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.492
_cell_length_b   4.700
_cell_length_c   4.700
_cell_angle_alpha   89.838
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   77.142
_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
  Mn  Mn0  1  0.000  0.500  0.500  1.0
  O  O1  1  1.000  0.806  0.806  1.0
  O  O2  1  0.000  0.194  0.194  1.0
  O  O3  1  0.500  0.297  0.703  1.0
  O  O4  1  0.500  0.703  0.297  1.0
  U  U5  1  0.500  1.000  0.000  1.0
[/CIF]
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The material described by MnUO4 is Calcite-like structured and crystallizes in the orthorhombic Imma 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 50-57°. 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 50-57°. 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 trigonal planar geometry to one U(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_UMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.492
_cell_length_b   4.700
_cell_length_c   4.700
_cell_angle_alpha   89.838
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   77.142
_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
  Mn  Mn0  1  0.000  0.500  0.500  1.0
  O  O1  1  1.000  0.806  0.806  1.0
  O  O2  1  0.000  0.194  0.194  1.0
  O  O3  1  0.500  0.297  0.703  1.0
  O  O4  1  0.500  0.703  0.297  1.0
  U  U5  1  0.500  1.000  0.000  1.0
[/CIF]
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