The compound described by MnSe3O8 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(8) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(8) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(3) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(3) atom. In the third O site, O(7) is bonded in a single-bond geometry to one Se(3) atom. In the fourth O site, O(8) is bonded in a bent 120 degrees geometry to one Se(1) and one Se(2) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Se(1) atom. In the seventh O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnSe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.018
_cell_length_b   7.204
_cell_length_c   10.251
_cell_angle_alpha   47.820
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   712.342
_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  0.828  0.874  0.939  1.0
  Mn  Mn1  1  0.672  0.874  0.439  1.0
  Mn  Mn2  1  0.172  0.126  0.061  1.0
  Mn  Mn3  1  0.328  0.126  0.561  1.0
  Se  Se4  1  0.695  0.332  0.555  1.0
  Se  Se5  1  0.805  0.332  0.055  1.0
  Se  Se6  1  0.305  0.668  0.445  1.0
  Se  Se7  1  0.195  0.668  0.945  1.0
  Se  Se8  1  0.863  0.996  0.566  1.0
  Se  Se9  1  0.637  0.996  0.066  1.0
  Se  Se10  1  0.137  0.004  0.434  1.0
  Se  Se11  1  0.363  0.004  0.934  1.0
  Se  Se12  1  0.992  0.683  0.245  1.0
  Se  Se13  1  0.508  0.683  0.745  1.0
  Se  Se14  1  0.008  0.317  0.755  1.0
  Se  Se15  1  0.492  0.317  0.255  1.0
  O  O16  1  0.750  0.579  0.018  1.0
  O  O17  1  0.750  0.579  0.518  1.0
  O  O18  1  0.250  0.421  0.982  1.0
  O  O19  1  0.250  0.421  0.482  1.0
  O  O20  1  0.710  0.077  0.776  1.0
  O  O21  1  0.790  0.077  0.276  1.0
  O  O22  1  0.290  0.923  0.224  1.0
  O  O23  1  0.210  0.923  0.724  1.0
  O  O24  1  0.903  0.890  0.766  1.0
  O  O25  1  0.597  0.890  0.266  1.0
  O  O26  1  0.097  0.110  0.234  1.0
  O  O27  1  0.403  0.110  0.734  1.0
  O  O28  1  0.749  0.830  0.123  1.0
  O  O29  1  0.751  0.830  0.623  1.0
  O  O30  1  0.251  0.170  0.877  1.0
  O  O31  1  0.249  0.170  0.377  1.0
  O  O32  1  0.432  0.347  0.398  1.0
  O  O33  1  0.068  0.347  0.898  1.0
  O  O34  1  0.568  0.653  0.602  1.0
  O  O35  1  0.932  0.653  0.102  1.0
  O  O36  1  0.106  0.845  0.115  1.0
  O  O37  1  0.394  0.845  0.615  1.0
  O  O38  1  0.894  0.155  0.885  1.0
  O  O39  1  0.606  0.155  0.385  1.0
  O  O40  1  0.533  0.610  0.105  1.0
  O  O41  1  0.967  0.610  0.605  1.0
  O  O42  1  0.467  0.390  0.895  1.0
  O  O43  1  0.033  0.390  0.395  1.0
  O  O44  1  0.308  0.700  0.035  1.0
  O  O45  1  0.192  0.700  0.535  1.0
  O  O46  1  0.692  0.300  0.965  1.0
  O  O47  1  0.808  0.300  0.465  1.0
[/CIF]
.
The compound described by MnSe3O8 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(8) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(8) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(3) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(3) atom. In the third O site, O(7) is bonded in a single-bond geometry to one Se(3) atom. In the fourth O site, O(8) is bonded in a bent 120 degrees geometry to one Se(1) and one Se(2) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Se(1) atom. In the seventh O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnSe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.018
_cell_length_b   7.204
_cell_length_c   10.251
_cell_angle_alpha   47.820
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   712.342
_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  0.828  0.874  0.939  1.0
  Mn  Mn1  1  0.672  0.874  0.439  1.0
  Mn  Mn2  1  0.172  0.126  0.061  1.0
  Mn  Mn3  1  0.328  0.126  0.561  1.0
  Se  Se4  1  0.695  0.332  0.555  1.0
  Se  Se5  1  0.805  0.332  0.055  1.0
  Se  Se6  1  0.305  0.668  0.445  1.0
  Se  Se7  1  0.195  0.668  0.945  1.0
  Se  Se8  1  0.863  0.996  0.566  1.0
  Se  Se9  1  0.637  0.996  0.066  1.0
  Se  Se10  1  0.137  0.004  0.434  1.0
  Se  Se11  1  0.363  0.004  0.934  1.0
  Se  Se12  1  0.992  0.683  0.245  1.0
  Se  Se13  1  0.508  0.683  0.745  1.0
  Se  Se14  1  0.008  0.317  0.755  1.0
  Se  Se15  1  0.492  0.317  0.255  1.0
  O  O16  1  0.750  0.579  0.018  1.0
  O  O17  1  0.750  0.579  0.518  1.0
  O  O18  1  0.250  0.421  0.982  1.0
  O  O19  1  0.250  0.421  0.482  1.0
  O  O20  1  0.710  0.077  0.776  1.0
  O  O21  1  0.790  0.077  0.276  1.0
  O  O22  1  0.290  0.923  0.224  1.0
  O  O23  1  0.210  0.923  0.724  1.0
  O  O24  1  0.903  0.890  0.766  1.0
  O  O25  1  0.597  0.890  0.266  1.0
  O  O26  1  0.097  0.110  0.234  1.0
  O  O27  1  0.403  0.110  0.734  1.0
  O  O28  1  0.749  0.830  0.123  1.0
  O  O29  1  0.751  0.830  0.623  1.0
  O  O30  1  0.251  0.170  0.877  1.0
  O  O31  1  0.249  0.170  0.377  1.0
  O  O32  1  0.432  0.347  0.398  1.0
  O  O33  1  0.068  0.347  0.898  1.0
  O  O34  1  0.568  0.653  0.602  1.0
  O  O35  1  0.932  0.653  0.102  1.0
  O  O36  1  0.106  0.845  0.115  1.0
  O  O37  1  0.394  0.845  0.615  1.0
  O  O38  1  0.894  0.155  0.885  1.0
  O  O39  1  0.606  0.155  0.385  1.0
  O  O40  1  0.533  0.610  0.105  1.0
  O  O41  1  0.967  0.610  0.605  1.0
  O  O42  1  0.467  0.390  0.895  1.0
  O  O43  1  0.033  0.390  0.395  1.0
  O  O44  1  0.308  0.700  0.035  1.0
  O  O45  1  0.192  0.700  0.535  1.0
  O  O46  1  0.692  0.300  0.965  1.0
  O  O47  1  0.808  0.300  0.465  1.0
[/CIF]
.