The material described by Ba2SnSe4O5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 7-coordinate geometry to two equivalent Se(1), one O(2), one O(3), one O(4), and two equivalent O(1) atoms. Sn(1) is bonded in a distorted trigonal pyramidal geometry to one Se(2), two equivalent Se(1), and one O(3) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Sn(1), and one O(1) atom. In the second Se site, Se(2) is bonded in a distorted water-like geometry to one Sn(1) and one O(2) atom. In the third Se site, Se(3) is bonded in a water-like geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one Se(2) atom. In the second O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Sn(1), and one Se(3) atom. In the third O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ba(1) and one Se(3) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_Ba2SnSe4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.163
_cell_length_b   12.969
_cell_length_c   14.569
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1164.369
_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
  Ba  Ba0  1  0.613  0.590  0.106  1.0
  Ba  Ba1  1  0.887  0.910  0.606  1.0
  Ba  Ba2  1  0.387  0.090  0.894  1.0
  Ba  Ba3  1  0.113  0.410  0.394  1.0
  Ba  Ba4  1  0.387  0.410  0.894  1.0
  Ba  Ba5  1  0.113  0.090  0.394  1.0
  Ba  Ba6  1  0.613  0.910  0.106  1.0
  Ba  Ba7  1  0.887  0.590  0.606  1.0
  Sn  Sn8  1  0.411  0.750  0.341  1.0
  Sn  Sn9  1  0.089  0.750  0.841  1.0
  Sn  Sn10  1  0.589  0.250  0.659  1.0
  Sn  Sn11  1  0.911  0.250  0.159  1.0
  Se  Se12  1  0.574  0.553  0.355  1.0
  Se  Se13  1  0.926  0.947  0.855  1.0
  Se  Se14  1  0.426  0.053  0.645  1.0
  Se  Se15  1  0.074  0.447  0.145  1.0
  Se  Se16  1  0.426  0.447  0.645  1.0
  Se  Se17  1  0.074  0.053  0.145  1.0
  Se  Se18  1  0.574  0.947  0.355  1.0
  Se  Se19  1  0.926  0.553  0.855  1.0
  Se  Se20  1  0.998  0.750  0.380  1.0
  Se  Se21  1  0.502  0.750  0.880  1.0
  Se  Se22  1  0.002  0.250  0.620  1.0
  Se  Se23  1  0.498  0.250  0.120  1.0
  Se  Se24  1  0.372  0.750  0.614  1.0
  Se  Se25  1  0.128  0.750  0.114  1.0
  Se  Se26  1  0.628  0.250  0.386  1.0
  Se  Se27  1  0.872  0.250  0.886  1.0
  O  O28  1  0.724  0.534  0.940  1.0
  O  O29  1  0.776  0.966  0.440  1.0
  O  O30  1  0.276  0.034  0.060  1.0
  O  O31  1  0.224  0.466  0.560  1.0
  O  O32  1  0.276  0.466  0.060  1.0
  O  O33  1  0.224  0.034  0.560  1.0
  O  O34  1  0.724  0.966  0.940  1.0
  O  O35  1  0.776  0.534  0.440  1.0
  O  O36  1  0.515  0.750  0.003  1.0
  O  O37  1  0.985  0.750  0.503  1.0
  O  O38  1  0.485  0.250  0.997  1.0
  O  O39  1  0.015  0.250  0.497  1.0
  O  O40  1  0.364  0.750  0.199  1.0
  O  O41  1  0.136  0.750  0.699  1.0
  O  O42  1  0.636  0.250  0.801  1.0
  O  O43  1  0.864  0.250  0.301  1.0
  O  O44  1  0.879  0.750  0.172  1.0
  O  O45  1  0.621  0.750  0.672  1.0
  O  O46  1  0.121  0.250  0.828  1.0
  O  O47  1  0.379  0.250  0.328  1.0
[/CIF]
.
The material described by Ba2SnSe4O5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 7-coordinate geometry to two equivalent Se(1), one O(2), one O(3), one O(4), and two equivalent O(1) atoms. Sn(1) is bonded in a distorted trigonal pyramidal geometry to one Se(2), two equivalent Se(1), and one O(3) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Sn(1), and one O(1) atom. In the second Se site, Se(2) is bonded in a distorted water-like geometry to one Sn(1) and one O(2) atom. In the third Se site, Se(3) is bonded in a water-like geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one Se(2) atom. In the second O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Sn(1), and one Se(3) atom. In the third O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ba(1) and one Se(3) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_Ba2SnSe4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.163
_cell_length_b   12.969
_cell_length_c   14.569
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1164.369
_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
  Ba  Ba0  1  0.613  0.590  0.106  1.0
  Ba  Ba1  1  0.887  0.910  0.606  1.0
  Ba  Ba2  1  0.387  0.090  0.894  1.0
  Ba  Ba3  1  0.113  0.410  0.394  1.0
  Ba  Ba4  1  0.387  0.410  0.894  1.0
  Ba  Ba5  1  0.113  0.090  0.394  1.0
  Ba  Ba6  1  0.613  0.910  0.106  1.0
  Ba  Ba7  1  0.887  0.590  0.606  1.0
  Sn  Sn8  1  0.411  0.750  0.341  1.0
  Sn  Sn9  1  0.089  0.750  0.841  1.0
  Sn  Sn10  1  0.589  0.250  0.659  1.0
  Sn  Sn11  1  0.911  0.250  0.159  1.0
  Se  Se12  1  0.574  0.553  0.355  1.0
  Se  Se13  1  0.926  0.947  0.855  1.0
  Se  Se14  1  0.426  0.053  0.645  1.0
  Se  Se15  1  0.074  0.447  0.145  1.0
  Se  Se16  1  0.426  0.447  0.645  1.0
  Se  Se17  1  0.074  0.053  0.145  1.0
  Se  Se18  1  0.574  0.947  0.355  1.0
  Se  Se19  1  0.926  0.553  0.855  1.0
  Se  Se20  1  0.998  0.750  0.380  1.0
  Se  Se21  1  0.502  0.750  0.880  1.0
  Se  Se22  1  0.002  0.250  0.620  1.0
  Se  Se23  1  0.498  0.250  0.120  1.0
  Se  Se24  1  0.372  0.750  0.614  1.0
  Se  Se25  1  0.128  0.750  0.114  1.0
  Se  Se26  1  0.628  0.250  0.386  1.0
  Se  Se27  1  0.872  0.250  0.886  1.0
  O  O28  1  0.724  0.534  0.940  1.0
  O  O29  1  0.776  0.966  0.440  1.0
  O  O30  1  0.276  0.034  0.060  1.0
  O  O31  1  0.224  0.466  0.560  1.0
  O  O32  1  0.276  0.466  0.060  1.0
  O  O33  1  0.224  0.034  0.560  1.0
  O  O34  1  0.724  0.966  0.940  1.0
  O  O35  1  0.776  0.534  0.440  1.0
  O  O36  1  0.515  0.750  0.003  1.0
  O  O37  1  0.985  0.750  0.503  1.0
  O  O38  1  0.485  0.250  0.997  1.0
  O  O39  1  0.015  0.250  0.497  1.0
  O  O40  1  0.364  0.750  0.199  1.0
  O  O41  1  0.136  0.750  0.699  1.0
  O  O42  1  0.636  0.250  0.801  1.0
  O  O43  1  0.864  0.250  0.301  1.0
  O  O44  1  0.879  0.750  0.172  1.0
  O  O45  1  0.621  0.750  0.672  1.0
  O  O46  1  0.121  0.250  0.828  1.0
  O  O47  1  0.379  0.250  0.328  1.0
[/CIF]
.