The crystal structure described by BaRe3Se4O7 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and two equivalent O(1) atoms. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted single-bond geometry to one Se(1), one Se(2), one Se(4), and one O(1) atom. In the second Re site, Re(2) is bonded in a distorted single-bond geometry to one Se(1), one Se(2), one Se(4), and one O(2) atom. In the third Re site, Re(3) is bonded in a distorted single-bond geometry to one Se(1), one Se(2), one Se(4), and one O(3) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the third Se site, Se(3) is bonded in a distorted single-bond geometry to one O(4) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Re(1), one Re(2), one Re(3), and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Re(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Re(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one Re(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ba(1) and one Se(3) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Se(4), and one O(5) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one O(7) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Ba(1) and one O(6) atom. is represented by the CIF card [CIF]
data_BaRe3Se4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.705
_cell_length_b   9.038
_cell_length_c   9.227
_cell_angle_alpha   70.410
_cell_angle_beta   63.962
_cell_angle_gamma   79.392
_symmetry_Int_Tables_number   1
_cell_volume   613.900
_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
  Ba  Ba0  1  0.327  0.863  0.756  1.0
  Ba  Ba1  1  0.673  0.137  0.244  1.0
  Re  Re2  1  0.817  0.683  0.505  1.0
  Re  Re3  1  0.183  0.317  0.495  1.0
  Re  Re4  1  0.877  0.337  0.480  1.0
  Re  Re5  1  0.123  0.663  0.520  1.0
  Re  Re6  1  0.879  0.468  0.770  1.0
  Re  Re7  1  0.121  0.532  0.230  1.0
  Se  Se8  1  0.635  0.448  0.701  1.0
  Se  Se9  1  0.365  0.552  0.299  1.0
  Se  Se10  1  0.810  0.573  0.277  1.0
  Se  Se11  1  0.190  0.427  0.723  1.0
  Se  Se12  1  0.231  0.243  0.225  1.0
  Se  Se13  1  0.769  0.757  0.775  1.0
  Se  Se14  1  0.932  0.183  0.738  1.0
  Se  Se15  1  0.068  0.817  0.262  1.0
  O  O16  1  0.645  0.835  0.500  1.0
  O  O17  1  0.355  0.165  0.500  1.0
  O  O18  1  0.857  0.189  0.406  1.0
  O  O19  1  0.143  0.811  0.594  1.0
  O  O20  1  0.788  0.427  0.993  1.0
  O  O21  1  0.212  0.573  0.007  1.0
  O  O22  1  0.550  0.742  0.881  1.0
  O  O23  1  0.450  0.258  0.119  1.0
  O  O24  1  0.025  0.980  0.927  1.0
  O  O25  1  0.975  0.020  0.073  1.0
  O  O26  1  0.492  0.129  0.839  1.0
  O  O27  1  0.508  0.871  0.161  1.0
  O  O28  1  0.333  0.110  0.905  1.0
  O  O29  1  0.667  0.890  0.095  1.0
[/CIF]
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The crystal structure described by BaRe3Se4O7 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(7), and two equivalent O(1) atoms. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted single-bond geometry to one Se(1), one Se(2), one Se(4), and one O(1) atom. In the second Re site, Re(2) is bonded in a distorted single-bond geometry to one Se(1), one Se(2), one Se(4), and one O(2) atom. In the third Re site, Re(3) is bonded in a distorted single-bond geometry to one Se(1), one Se(2), one Se(4), and one O(3) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the third Se site, Se(3) is bonded in a distorted single-bond geometry to one O(4) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Re(1), one Re(2), one Re(3), and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Re(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Re(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one Re(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ba(1) and one Se(3) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Se(4), and one O(5) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one O(7) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Ba(1) and one O(6) atom. is represented by the CIF card [CIF]
data_BaRe3Se4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.705
_cell_length_b   9.038
_cell_length_c   9.227
_cell_angle_alpha   70.410
_cell_angle_beta   63.962
_cell_angle_gamma   79.392
_symmetry_Int_Tables_number   1
_cell_volume   613.900
_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
  Ba  Ba0  1  0.327  0.863  0.756  1.0
  Ba  Ba1  1  0.673  0.137  0.244  1.0
  Re  Re2  1  0.817  0.683  0.505  1.0
  Re  Re3  1  0.183  0.317  0.495  1.0
  Re  Re4  1  0.877  0.337  0.480  1.0
  Re  Re5  1  0.123  0.663  0.520  1.0
  Re  Re6  1  0.879  0.468  0.770  1.0
  Re  Re7  1  0.121  0.532  0.230  1.0
  Se  Se8  1  0.635  0.448  0.701  1.0
  Se  Se9  1  0.365  0.552  0.299  1.0
  Se  Se10  1  0.810  0.573  0.277  1.0
  Se  Se11  1  0.190  0.427  0.723  1.0
  Se  Se12  1  0.231  0.243  0.225  1.0
  Se  Se13  1  0.769  0.757  0.775  1.0
  Se  Se14  1  0.932  0.183  0.738  1.0
  Se  Se15  1  0.068  0.817  0.262  1.0
  O  O16  1  0.645  0.835  0.500  1.0
  O  O17  1  0.355  0.165  0.500  1.0
  O  O18  1  0.857  0.189  0.406  1.0
  O  O19  1  0.143  0.811  0.594  1.0
  O  O20  1  0.788  0.427  0.993  1.0
  O  O21  1  0.212  0.573  0.007  1.0
  O  O22  1  0.550  0.742  0.881  1.0
  O  O23  1  0.450  0.258  0.119  1.0
  O  O24  1  0.025  0.980  0.927  1.0
  O  O25  1  0.975  0.020  0.073  1.0
  O  O26  1  0.492  0.129  0.839  1.0
  O  O27  1  0.508  0.871  0.161  1.0
  O  O28  1  0.333  0.110  0.905  1.0
  O  O29  1  0.667  0.890  0.095  1.0
[/CIF]
.