The material structure described by ReMnO4 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. Re(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted ReO6 octahedra that share corners with eight equivalent Mn(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Re(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Re(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Re(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Re(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_MnReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.838
_cell_length_b   5.165
_cell_length_c   5.734
_cell_angle_alpha   89.777
_cell_angle_beta   89.573
_cell_angle_gamma   87.028
_symmetry_Int_Tables_number   1
_cell_volume   143.091
_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
  Mn  Mn0  1  0.498  0.749  0.325  1.0
  Mn  Mn1  1  0.502  0.251  0.675  1.0
  O  O2  1  0.739  0.886  0.631  1.0
  O  O3  1  0.262  0.613  0.631  1.0
  O  O4  1  0.261  0.114  0.369  1.0
  O  O5  1  0.738  0.387  0.369  1.0
  O  O6  1  0.794  0.944  0.103  1.0
  O  O7  1  0.205  0.560  0.103  1.0
  O  O8  1  0.795  0.440  0.897  1.0
  O  O9  1  0.206  0.056  0.897  1.0
  Re  Re10  1  0.999  0.751  0.833  1.0
  Re  Re11  1  0.001  0.249  0.167  1.0
[/CIF]
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The material structure described by ReMnO4 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. Re(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted ReO6 octahedra that share corners with eight equivalent Mn(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Re(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Re(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Re(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Re(1) and one Mn(1) atom. is represented by the CIF card [CIF]
data_MnReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.838
_cell_length_b   5.165
_cell_length_c   5.734
_cell_angle_alpha   89.777
_cell_angle_beta   89.573
_cell_angle_gamma   87.028
_symmetry_Int_Tables_number   1
_cell_volume   143.091
_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
  Mn  Mn0  1  0.498  0.749  0.325  1.0
  Mn  Mn1  1  0.502  0.251  0.675  1.0
  O  O2  1  0.739  0.886  0.631  1.0
  O  O3  1  0.262  0.613  0.631  1.0
  O  O4  1  0.261  0.114  0.369  1.0
  O  O5  1  0.738  0.387  0.369  1.0
  O  O6  1  0.794  0.944  0.103  1.0
  O  O7  1  0.205  0.560  0.103  1.0
  O  O8  1  0.795  0.440  0.897  1.0
  O  O9  1  0.206  0.056  0.897  1.0
  Re  Re10  1  0.999  0.751  0.833  1.0
  Re  Re11  1  0.001  0.249  0.167  1.0
[/CIF]
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