The crystal structure described by MnSeO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 38°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(5), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Se(1) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(2) and one Se(1) atom. In the third O site, O(1) is bonded in a distorted see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Se(2) atom. In the fourth O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Se(2) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Se(1) atom. In the sixth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Se(2) atom. is represented by the CIF card [CIF]
data_MnSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.307
_cell_length_b   8.023
_cell_length_c   10.496
_cell_angle_alpha   54.802
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   571.640
_cell_formula_units_Z   8
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  0.119  0.303  0.624  1.0
  Mn  Mn1  1  0.619  0.697  0.876  1.0
  Mn  Mn2  1  0.881  0.697  0.376  1.0
  Mn  Mn3  1  0.381  0.303  0.124  1.0
  Mn  Mn4  1  0.203  0.028  0.484  1.0
  Mn  Mn5  1  0.703  0.972  0.016  1.0
  Mn  Mn6  1  0.797  0.972  0.516  1.0
  Mn  Mn7  1  0.297  0.028  0.984  1.0
  Se  Se8  1  0.371  0.569  0.708  1.0
  Se  Se9  1  0.871  0.431  0.792  1.0
  Se  Se10  1  0.629  0.431  0.292  1.0
  Se  Se11  1  0.129  0.569  0.208  1.0
  Se  Se12  1  0.496  0.858  0.333  1.0
  Se  Se13  1  0.996  0.142  0.167  1.0
  Se  Se14  1  0.504  0.142  0.667  1.0
  Se  Se15  1  0.004  0.858  0.833  1.0
  O  O16  1  0.512  0.029  0.131  1.0
  O  O17  1  0.012  0.971  0.369  1.0
  O  O18  1  0.488  0.971  0.869  1.0
  O  O19  1  0.988  0.029  0.631  1.0
  O  O20  1  0.685  0.852  0.399  1.0
  O  O21  1  0.185  0.148  0.101  1.0
  O  O22  1  0.315  0.148  0.601  1.0
  O  O23  1  0.815  0.852  0.899  1.0
  O  O24  1  0.417  0.527  0.885  1.0
  O  O25  1  0.917  0.473  0.615  1.0
  O  O26  1  0.583  0.473  0.115  1.0
  O  O27  1  0.083  0.527  0.385  1.0
  O  O28  1  0.409  0.030  0.359  1.0
  O  O29  1  0.909  0.970  0.141  1.0
  O  O30  1  0.591  0.970  0.641  1.0
  O  O31  1  0.091  0.030  0.859  1.0
  O  O32  1  0.291  0.339  0.764  1.0
  O  O33  1  0.791  0.661  0.736  1.0
  O  O34  1  0.709  0.661  0.236  1.0
  O  O35  1  0.209  0.339  0.264  1.0
  O  O36  1  0.205  0.715  0.656  1.0
  O  O37  1  0.705  0.285  0.844  1.0
  O  O38  1  0.795  0.285  0.344  1.0
  O  O39  1  0.295  0.715  0.156  1.0
[/CIF]
.
The crystal structure described by MnSeO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 38°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(5), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Se(1) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(2) and one Se(1) atom. In the third O site, O(1) is bonded in a distorted see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Se(2) atom. In the fourth O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Se(2) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Se(1) atom. In the sixth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Se(2) atom. is represented by the CIF card [CIF]
data_MnSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.307
_cell_length_b   8.023
_cell_length_c   10.496
_cell_angle_alpha   54.802
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   571.640
_cell_formula_units_Z   8
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  0.119  0.303  0.624  1.0
  Mn  Mn1  1  0.619  0.697  0.876  1.0
  Mn  Mn2  1  0.881  0.697  0.376  1.0
  Mn  Mn3  1  0.381  0.303  0.124  1.0
  Mn  Mn4  1  0.203  0.028  0.484  1.0
  Mn  Mn5  1  0.703  0.972  0.016  1.0
  Mn  Mn6  1  0.797  0.972  0.516  1.0
  Mn  Mn7  1  0.297  0.028  0.984  1.0
  Se  Se8  1  0.371  0.569  0.708  1.0
  Se  Se9  1  0.871  0.431  0.792  1.0
  Se  Se10  1  0.629  0.431  0.292  1.0
  Se  Se11  1  0.129  0.569  0.208  1.0
  Se  Se12  1  0.496  0.858  0.333  1.0
  Se  Se13  1  0.996  0.142  0.167  1.0
  Se  Se14  1  0.504  0.142  0.667  1.0
  Se  Se15  1  0.004  0.858  0.833  1.0
  O  O16  1  0.512  0.029  0.131  1.0
  O  O17  1  0.012  0.971  0.369  1.0
  O  O18  1  0.488  0.971  0.869  1.0
  O  O19  1  0.988  0.029  0.631  1.0
  O  O20  1  0.685  0.852  0.399  1.0
  O  O21  1  0.185  0.148  0.101  1.0
  O  O22  1  0.315  0.148  0.601  1.0
  O  O23  1  0.815  0.852  0.899  1.0
  O  O24  1  0.417  0.527  0.885  1.0
  O  O25  1  0.917  0.473  0.615  1.0
  O  O26  1  0.583  0.473  0.115  1.0
  O  O27  1  0.083  0.527  0.385  1.0
  O  O28  1  0.409  0.030  0.359  1.0
  O  O29  1  0.909  0.970  0.141  1.0
  O  O30  1  0.591  0.970  0.641  1.0
  O  O31  1  0.091  0.030  0.859  1.0
  O  O32  1  0.291  0.339  0.764  1.0
  O  O33  1  0.791  0.661  0.736  1.0
  O  O34  1  0.709  0.661  0.236  1.0
  O  O35  1  0.209  0.339  0.264  1.0
  O  O36  1  0.205  0.715  0.656  1.0
  O  O37  1  0.705  0.285  0.844  1.0
  O  O38  1  0.795  0.285  0.344  1.0
  O  O39  1  0.295  0.715  0.156  1.0
[/CIF]
.