The material described by Mn4Se4O15 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second Mn site, Mn(2) is bonded to one O(1), one O(13), one O(2), one O(5), one O(6), and one O(7) atom to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the third Mn site, Mn(3) is bonded to one O(10), one O(11), one O(14), one O(7), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(15), one O(4), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(11), and one O(9) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(12), one O(2), and one O(8) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(10), one O(5), and one O(6) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(4), and one O(7) atom. There are fifteen inequivalent O sites. In the first O site, O(1) 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(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Se(2) atom. In the third O site, O(3) is bonded in a water-like geometry to one Mn(1) and one Se(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Se(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Se(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Se(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Se(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Se(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Se(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Se(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Se(1) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Se(2) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Mn(2) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Mn(3) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Mn(4) atom. is represented by the CIF file [CIF]
data_Mn4Se4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.432
_cell_length_b   9.258
_cell_length_c   9.542
_cell_angle_alpha   117.216
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   662.350
_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  0.974  0.319  0.013  1.0
  Mn  Mn1  1  0.474  0.681  0.987  1.0
  Mn  Mn2  1  0.370  0.335  0.016  1.0
  Mn  Mn3  1  0.870  0.665  0.984  1.0
  Mn  Mn4  1  0.971  0.047  0.336  1.0
  Mn  Mn5  1  0.471  0.953  0.664  1.0
  Mn  Mn6  1  0.376  0.044  0.358  1.0
  Mn  Mn7  1  0.876  0.956  0.642  1.0
  Se  Se8  1  0.178  0.251  0.673  1.0
  Se  Se9  1  0.678  0.749  0.327  1.0
  Se  Se10  1  0.180  0.380  0.358  1.0
  Se  Se11  1  0.680  0.620  0.642  1.0
  Se  Se12  1  0.666  0.316  0.750  1.0
  Se  Se13  1  0.166  0.684  0.250  1.0
  Se  Se14  1  0.796  0.044  0.022  1.0
  Se  Se15  1  0.296  0.956  0.978  1.0
  O  O16  1  0.177  0.279  0.866  1.0
  O  O17  1  0.677  0.721  0.134  1.0
  O  O18  1  0.184  0.322  0.150  1.0
  O  O19  1  0.684  0.678  0.850  1.0
  O  O20  1  0.840  0.241  0.153  1.0
  O  O21  1  0.340  0.759  0.847  1.0
  O  O22  1  0.926  0.046  0.877  1.0
  O  O23  1  0.426  0.954  0.123  1.0
  O  O24  1  0.806  0.397  0.899  1.0
  O  O25  1  0.306  0.603  0.101  1.0
  O  O26  1  0.490  0.393  0.856  1.0
  O  O27  1  0.990  0.607  0.144  1.0
  O  O28  1  0.911  0.934  0.097  1.0
  O  O29  1  0.411  0.066  0.903  1.0
  O  O30  1  0.176  0.183  0.351  1.0
  O  O31  1  0.676  0.817  0.649  1.0
  O  O32  1  0.318  0.094  0.590  1.0
  O  O33  1  0.818  0.906  0.410  1.0
  O  O34  1  0.163  0.886  0.282  1.0
  O  O35  1  0.663  0.114  0.718  1.0
  O  O36  1  0.002  0.145  0.606  1.0
  O  O37  1  0.502  0.855  0.394  1.0
  O  O38  1  0.366  0.439  0.410  1.0
  O  O39  1  0.866  0.561  0.590  1.0
  O  O40  1  0.521  0.380  0.153  1.0
  O  O41  1  0.021  0.620  0.847  1.0
  O  O42  1  0.840  0.209  0.380  1.0
  O  O43  1  0.340  0.791  0.620  1.0
  O  O44  1  0.520  0.196  0.420  1.0
  O  O45  1  0.020  0.804  0.580  1.0
[/CIF]
.
The material described by Mn4Se4O15 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the second Mn site, Mn(2) is bonded to one O(1), one O(13), one O(2), one O(5), one O(6), and one O(7) atom to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the third Mn site, Mn(3) is bonded to one O(10), one O(11), one O(14), one O(7), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(15), one O(4), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(11), and one O(9) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(12), one O(2), and one O(8) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(10), one O(5), and one O(6) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(4), and one O(7) atom. There are fifteen inequivalent O sites. In the first O site, O(1) 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(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Se(2) atom. In the third O site, O(3) is bonded in a water-like geometry to one Mn(1) and one Se(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Se(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Se(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Se(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Se(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Se(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Se(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Se(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Se(1) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Se(2) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Mn(2) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Mn(3) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Mn(4) atom. is represented by the CIF file [CIF]
data_Mn4Se4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.432
_cell_length_b   9.258
_cell_length_c   9.542
_cell_angle_alpha   117.216
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   662.350
_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  0.974  0.319  0.013  1.0
  Mn  Mn1  1  0.474  0.681  0.987  1.0
  Mn  Mn2  1  0.370  0.335  0.016  1.0
  Mn  Mn3  1  0.870  0.665  0.984  1.0
  Mn  Mn4  1  0.971  0.047  0.336  1.0
  Mn  Mn5  1  0.471  0.953  0.664  1.0
  Mn  Mn6  1  0.376  0.044  0.358  1.0
  Mn  Mn7  1  0.876  0.956  0.642  1.0
  Se  Se8  1  0.178  0.251  0.673  1.0
  Se  Se9  1  0.678  0.749  0.327  1.0
  Se  Se10  1  0.180  0.380  0.358  1.0
  Se  Se11  1  0.680  0.620  0.642  1.0
  Se  Se12  1  0.666  0.316  0.750  1.0
  Se  Se13  1  0.166  0.684  0.250  1.0
  Se  Se14  1  0.796  0.044  0.022  1.0
  Se  Se15  1  0.296  0.956  0.978  1.0
  O  O16  1  0.177  0.279  0.866  1.0
  O  O17  1  0.677  0.721  0.134  1.0
  O  O18  1  0.184  0.322  0.150  1.0
  O  O19  1  0.684  0.678  0.850  1.0
  O  O20  1  0.840  0.241  0.153  1.0
  O  O21  1  0.340  0.759  0.847  1.0
  O  O22  1  0.926  0.046  0.877  1.0
  O  O23  1  0.426  0.954  0.123  1.0
  O  O24  1  0.806  0.397  0.899  1.0
  O  O25  1  0.306  0.603  0.101  1.0
  O  O26  1  0.490  0.393  0.856  1.0
  O  O27  1  0.990  0.607  0.144  1.0
  O  O28  1  0.911  0.934  0.097  1.0
  O  O29  1  0.411  0.066  0.903  1.0
  O  O30  1  0.176  0.183  0.351  1.0
  O  O31  1  0.676  0.817  0.649  1.0
  O  O32  1  0.318  0.094  0.590  1.0
  O  O33  1  0.818  0.906  0.410  1.0
  O  O34  1  0.163  0.886  0.282  1.0
  O  O35  1  0.663  0.114  0.718  1.0
  O  O36  1  0.002  0.145  0.606  1.0
  O  O37  1  0.502  0.855  0.394  1.0
  O  O38  1  0.366  0.439  0.410  1.0
  O  O39  1  0.866  0.561  0.590  1.0
  O  O40  1  0.521  0.380  0.153  1.0
  O  O41  1  0.021  0.620  0.847  1.0
  O  O42  1  0.840  0.209  0.380  1.0
  O  O43  1  0.340  0.791  0.620  1.0
  O  O44  1  0.520  0.196  0.420  1.0
  O  O45  1  0.020  0.804  0.580  1.0
[/CIF]
.