The structure described by MnSeO4 crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Se(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. Se(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SeO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Se(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_MnSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.985
_cell_length_b   6.950
_cell_length_c   9.285
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.678
_cell_formula_units_Z   4
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  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Se  Se4  1  0.519  0.750  0.819  1.0
  Se  Se5  1  0.019  0.250  0.681  1.0
  Se  Se6  1  0.481  0.250  0.181  1.0
  Se  Se7  1  0.981  0.750  0.319  1.0
  O  O8  1  0.165  0.448  0.626  1.0
  O  O9  1  0.665  0.552  0.874  1.0
  O  O10  1  0.835  0.948  0.374  1.0
  O  O11  1  0.335  0.052  0.126  1.0
  O  O12  1  0.835  0.552  0.374  1.0
  O  O13  1  0.335  0.448  0.126  1.0
  O  O14  1  0.165  0.052  0.626  1.0
  O  O15  1  0.665  0.948  0.874  1.0
  O  O16  1  0.202  0.750  0.877  1.0
  O  O17  1  0.702  0.250  0.623  1.0
  O  O18  1  0.798  0.250  0.123  1.0
  O  O19  1  0.298  0.750  0.377  1.0
  O  O20  1  0.546  0.750  0.638  1.0
  O  O21  1  0.046  0.250  0.862  1.0
  O  O22  1  0.454  0.250  0.362  1.0
  O  O23  1  0.954  0.750  0.138  1.0
[/CIF]
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The structure described by MnSeO4 crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Se(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. Se(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SeO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Se(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_MnSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.985
_cell_length_b   6.950
_cell_length_c   9.285
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.678
_cell_formula_units_Z   4
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  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Se  Se4  1  0.519  0.750  0.819  1.0
  Se  Se5  1  0.019  0.250  0.681  1.0
  Se  Se6  1  0.481  0.250  0.181  1.0
  Se  Se7  1  0.981  0.750  0.319  1.0
  O  O8  1  0.165  0.448  0.626  1.0
  O  O9  1  0.665  0.552  0.874  1.0
  O  O10  1  0.835  0.948  0.374  1.0
  O  O11  1  0.335  0.052  0.126  1.0
  O  O12  1  0.835  0.552  0.374  1.0
  O  O13  1  0.335  0.448  0.126  1.0
  O  O14  1  0.165  0.052  0.626  1.0
  O  O15  1  0.665  0.948  0.874  1.0
  O  O16  1  0.202  0.750  0.877  1.0
  O  O17  1  0.702  0.250  0.623  1.0
  O  O18  1  0.798  0.250  0.123  1.0
  O  O19  1  0.298  0.750  0.377  1.0
  O  O20  1  0.546  0.750  0.638  1.0
  O  O21  1  0.046  0.250  0.862  1.0
  O  O22  1  0.454  0.250  0.362  1.0
  O  O23  1  0.954  0.750  0.138  1.0
[/CIF]
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