The crystal structure described by MnSeO5 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form edge-sharing MnO6 octahedra. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Mn(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnSeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.663
_cell_length_b   6.159
_cell_length_c   9.964
_cell_angle_alpha   102.888
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.623
_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  0.045  0.193  0.132  1.0
  Mn  Mn1  1  0.545  0.807  0.368  1.0
  Mn  Mn2  1  0.955  0.807  0.868  1.0
  Mn  Mn3  1  0.455  0.193  0.632  1.0
  Se  Se4  1  0.210  0.661  0.126  1.0
  Se  Se5  1  0.710  0.339  0.374  1.0
  Se  Se6  1  0.790  0.339  0.874  1.0
  Se  Se7  1  0.290  0.661  0.626  1.0
  O  O8  1  0.558  0.136  0.434  1.0
  O  O9  1  0.058  0.864  0.066  1.0
  O  O10  1  0.442  0.864  0.566  1.0
  O  O11  1  0.942  0.136  0.934  1.0
  O  O12  1  0.999  0.505  0.155  1.0
  O  O13  1  0.499  0.495  0.345  1.0
  O  O14  1  0.001  0.495  0.845  1.0
  O  O15  1  0.501  0.505  0.655  1.0
  O  O16  1  0.760  0.186  0.212  1.0
  O  O17  1  0.260  0.814  0.288  1.0
  O  O18  1  0.240  0.814  0.788  1.0
  O  O19  1  0.740  0.186  0.712  1.0
  O  O20  1  0.664  0.792  0.204  1.0
  O  O21  1  0.164  0.208  0.296  1.0
  O  O22  1  0.336  0.208  0.796  1.0
  O  O23  1  0.836  0.792  0.704  1.0
  O  O24  1  0.805  0.768  0.407  1.0
  O  O25  1  0.305  0.232  0.093  1.0
  O  O26  1  0.195  0.232  0.593  1.0
  O  O27  1  0.695  0.768  0.907  1.0
[/CIF]
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The crystal structure described by MnSeO5 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form edge-sharing MnO6 octahedra. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Mn(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnSeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.663
_cell_length_b   6.159
_cell_length_c   9.964
_cell_angle_alpha   102.888
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   398.623
_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  0.045  0.193  0.132  1.0
  Mn  Mn1  1  0.545  0.807  0.368  1.0
  Mn  Mn2  1  0.955  0.807  0.868  1.0
  Mn  Mn3  1  0.455  0.193  0.632  1.0
  Se  Se4  1  0.210  0.661  0.126  1.0
  Se  Se5  1  0.710  0.339  0.374  1.0
  Se  Se6  1  0.790  0.339  0.874  1.0
  Se  Se7  1  0.290  0.661  0.626  1.0
  O  O8  1  0.558  0.136  0.434  1.0
  O  O9  1  0.058  0.864  0.066  1.0
  O  O10  1  0.442  0.864  0.566  1.0
  O  O11  1  0.942  0.136  0.934  1.0
  O  O12  1  0.999  0.505  0.155  1.0
  O  O13  1  0.499  0.495  0.345  1.0
  O  O14  1  0.001  0.495  0.845  1.0
  O  O15  1  0.501  0.505  0.655  1.0
  O  O16  1  0.760  0.186  0.212  1.0
  O  O17  1  0.260  0.814  0.288  1.0
  O  O18  1  0.240  0.814  0.788  1.0
  O  O19  1  0.740  0.186  0.712  1.0
  O  O20  1  0.664  0.792  0.204  1.0
  O  O21  1  0.164  0.208  0.296  1.0
  O  O22  1  0.336  0.208  0.796  1.0
  O  O23  1  0.836  0.792  0.704  1.0
  O  O24  1  0.805  0.768  0.407  1.0
  O  O25  1  0.305  0.232  0.093  1.0
  O  O26  1  0.195  0.232  0.593  1.0
  O  O27  1  0.695  0.768  0.907  1.0
[/CIF]
.