The material structure described by Cd4Se4O15 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(8), and one O(9) atom to form a mixture of distorted edge and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 75°. In the second Cd site, Cd(2) is bonded to one O(12), one O(13), one O(2), one O(5), one O(6), and one O(7) atom to form a mixture of edge and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 70°. In the third Cd site, Cd(3) is bonded to one O(1), one O(12), one O(15), one O(4), one O(8), and one O(9) atom to form a mixture of distorted edge and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 70°. In the fourth Cd site, Cd(4) is bonded to one O(10), one O(14), one O(2), one O(5), one O(6), and one O(7) atom to form a mixture of edge and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 75°. There are four 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(3) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(7), one O(8), and one O(9) atom. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one O(10), one O(11), and one O(12) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(3), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cd(2), one Cd(4), and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Se(1) and one O(15) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(3), and one Se(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cd(2), one Cd(4), and one Se(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Cd(2), one Cd(4), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cd(2), one Cd(4), and one Se(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Cd(1), one Cd(3), and one Se(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(3), and one Se(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Cd(4), and one Se(4) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Cd(1) and one Se(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Cd(2), one Cd(3), and one Se(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Cd(2) and one O(14) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Cd(4) and one O(13) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Cd(3) and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd4Se4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.733
_cell_length_b   9.693
_cell_length_c   10.262
_cell_angle_alpha   61.267
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   761.740
_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
  Cd  Cd0  1  0.172  0.322  0.983  1.0
  Cd  Cd1  1  0.672  0.678  0.017  1.0
  Cd  Cd2  1  0.183  0.047  0.657  1.0
  Cd  Cd3  1  0.683  0.953  0.343  1.0
  Cd  Cd4  1  0.759  0.319  0.990  1.0
  Cd  Cd5  1  0.259  0.681  0.010  1.0
  Cd  Cd6  1  0.257  0.975  0.344  1.0
  Cd  Cd7  1  0.757  0.025  0.656  1.0
  Se  Se8  1  0.951  0.379  0.649  1.0
  Se  Se9  1  0.451  0.621  0.351  1.0
  Se  Se10  1  0.967  0.251  0.324  1.0
  Se  Se11  1  0.467  0.749  0.676  1.0
  Se  Se12  1  0.971  0.676  0.767  1.0
  Se  Se13  1  0.471  0.324  0.233  1.0
  Se  Se14  1  0.340  0.042  0.984  1.0
  Se  Se15  1  0.840  0.958  0.016  1.0
  O  O16  1  0.960  0.321  0.834  1.0
  O  O17  1  0.460  0.679  0.166  1.0
  O  O18  1  0.953  0.209  0.636  1.0
  O  O19  1  0.453  0.791  0.364  1.0
  O  O20  1  0.721  0.440  0.629  1.0
  O  O21  1  0.221  0.560  0.371  1.0
  O  O22  1  0.975  0.255  0.155  1.0
  O  O23  1  0.475  0.745  0.845  1.0
  O  O24  1  0.135  0.147  0.407  1.0
  O  O25  1  0.635  0.853  0.593  1.0
  O  O26  1  0.825  0.110  0.412  1.0
  O  O27  1  0.325  0.890  0.588  1.0
  O  O28  1  0.977  0.863  0.748  1.0
  O  O29  1  0.477  0.137  0.252  1.0
  O  O30  1  0.139  0.595  0.866  1.0
  O  O31  1  0.639  0.405  0.134  1.0
  O  O32  1  0.832  0.587  0.901  1.0
  O  O33  1  0.332  0.413  0.099  1.0
  O  O34  1  0.202  0.039  0.111  1.0
  O  O35  1  0.702  0.961  0.889  1.0
  O  O36  1  0.326  0.236  0.859  1.0
  O  O37  1  0.826  0.764  0.141  1.0
  O  O38  1  0.234  0.951  0.899  1.0
  O  O39  1  0.734  0.049  0.101  1.0
  O  O40  1  0.412  0.248  0.585  1.0
  O  O41  1  0.912  0.752  0.415  1.0
  O  O42  1  0.054  0.770  0.438  1.0
  O  O43  1  0.554  0.230  0.562  1.0
  O  O44  1  0.646  0.398  0.755  1.0
  O  O45  1  0.146  0.602  0.245  1.0
[/CIF]
.
The material structure described by Cd4Se4O15 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(8), and one O(9) atom to form a mixture of distorted edge and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 75°. In the second Cd site, Cd(2) is bonded to one O(12), one O(13), one O(2), one O(5), one O(6), and one O(7) atom to form a mixture of edge and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 70°. In the third Cd site, Cd(3) is bonded to one O(1), one O(12), one O(15), one O(4), one O(8), and one O(9) atom to form a mixture of distorted edge and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 70°. In the fourth Cd site, Cd(4) is bonded to one O(10), one O(14), one O(2), one O(5), one O(6), and one O(7) atom to form a mixture of edge and corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 75°. There are four 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(3) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(7), one O(8), and one O(9) atom. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one O(10), one O(11), and one O(12) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(3), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cd(2), one Cd(4), and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Se(1) and one O(15) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(3), and one Se(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Cd(2), one Cd(4), and one Se(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Cd(2), one Cd(4), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cd(2), one Cd(4), and one Se(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Cd(1), one Cd(3), and one Se(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(3), and one Se(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Cd(4), and one Se(4) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Cd(1) and one Se(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Cd(2), one Cd(3), and one Se(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Cd(2) and one O(14) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Cd(4) and one O(13) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Cd(3) and one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd4Se4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.733
_cell_length_b   9.693
_cell_length_c   10.262
_cell_angle_alpha   61.267
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   761.740
_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
  Cd  Cd0  1  0.172  0.322  0.983  1.0
  Cd  Cd1  1  0.672  0.678  0.017  1.0
  Cd  Cd2  1  0.183  0.047  0.657  1.0
  Cd  Cd3  1  0.683  0.953  0.343  1.0
  Cd  Cd4  1  0.759  0.319  0.990  1.0
  Cd  Cd5  1  0.259  0.681  0.010  1.0
  Cd  Cd6  1  0.257  0.975  0.344  1.0
  Cd  Cd7  1  0.757  0.025  0.656  1.0
  Se  Se8  1  0.951  0.379  0.649  1.0
  Se  Se9  1  0.451  0.621  0.351  1.0
  Se  Se10  1  0.967  0.251  0.324  1.0
  Se  Se11  1  0.467  0.749  0.676  1.0
  Se  Se12  1  0.971  0.676  0.767  1.0
  Se  Se13  1  0.471  0.324  0.233  1.0
  Se  Se14  1  0.340  0.042  0.984  1.0
  Se  Se15  1  0.840  0.958  0.016  1.0
  O  O16  1  0.960  0.321  0.834  1.0
  O  O17  1  0.460  0.679  0.166  1.0
  O  O18  1  0.953  0.209  0.636  1.0
  O  O19  1  0.453  0.791  0.364  1.0
  O  O20  1  0.721  0.440  0.629  1.0
  O  O21  1  0.221  0.560  0.371  1.0
  O  O22  1  0.975  0.255  0.155  1.0
  O  O23  1  0.475  0.745  0.845  1.0
  O  O24  1  0.135  0.147  0.407  1.0
  O  O25  1  0.635  0.853  0.593  1.0
  O  O26  1  0.825  0.110  0.412  1.0
  O  O27  1  0.325  0.890  0.588  1.0
  O  O28  1  0.977  0.863  0.748  1.0
  O  O29  1  0.477  0.137  0.252  1.0
  O  O30  1  0.139  0.595  0.866  1.0
  O  O31  1  0.639  0.405  0.134  1.0
  O  O32  1  0.832  0.587  0.901  1.0
  O  O33  1  0.332  0.413  0.099  1.0
  O  O34  1  0.202  0.039  0.111  1.0
  O  O35  1  0.702  0.961  0.889  1.0
  O  O36  1  0.326  0.236  0.859  1.0
  O  O37  1  0.826  0.764  0.141  1.0
  O  O38  1  0.234  0.951  0.899  1.0
  O  O39  1  0.734  0.049  0.101  1.0
  O  O40  1  0.412  0.248  0.585  1.0
  O  O41  1  0.912  0.752  0.415  1.0
  O  O42  1  0.054  0.770  0.438  1.0
  O  O43  1  0.554  0.230  0.562  1.0
  O  O44  1  0.646  0.398  0.755  1.0
  O  O45  1  0.146  0.602  0.245  1.0
[/CIF]
.