The crystal structure described by BaRe2O9 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(12), one O(13), one O(14), one O(16), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(15), one O(18), one O(3), one O(4), one O(6), and one O(7) atom. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded in a tetrahedral geometry to one O(11), one O(15), one O(4), and one O(6) atom. In the second Re site, Re(2) is bonded in a tetrahedral geometry to one O(14), one O(16), one O(5), and one O(8) atom. In the third Re site, Re(3) is bonded in a tetrahedral geometry to one O(1), one O(17), one O(2), and one O(9) atom. In the fourth Re site, Re(4) is bonded in a tetrahedral geometry to one O(10), one O(18), one O(3), and one O(7) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Re(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one Re(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2) and one Re(4) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(2) and one Re(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Re(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Re(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(2) and one Re(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1) and one Re(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Re(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Re(4) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Re(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Ba(1) and one Ba(2) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(1) and one Re(2) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Ba(2) and one Re(1) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Ba(1) and one Re(2) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one Re(3) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Ba(2) and one Re(4) atom. is represented by the CIF file [CIF]
data_BaRe2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.521
_cell_length_b   7.669
_cell_length_c   15.789
_cell_angle_alpha   89.657
_cell_angle_beta   84.174
_cell_angle_gamma   89.873
_symmetry_Int_Tables_number   1
_cell_volume   905.937
_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  0.221  0.829  0.132  1.0
  Ba  Ba1  1  0.779  0.171  0.868  1.0
  Ba  Ba2  1  0.219  0.181  0.631  1.0
  Ba  Ba3  1  0.781  0.819  0.369  1.0
  Re  Re4  1  0.700  0.863  0.649  1.0
  Re  Re5  1  0.300  0.137  0.351  1.0
  Re  Re6  1  0.762  0.694  0.988  1.0
  Re  Re7  1  0.238  0.306  0.012  1.0
  Re  Re8  1  0.284  0.872  0.853  1.0
  Re  Re9  1  0.716  0.128  0.147  1.0
  Re  Re10  1  0.236  0.697  0.509  1.0
  Re  Re11  1  0.764  0.303  0.491  1.0
  O  O12  1  0.163  0.030  0.799  1.0
  O  O13  1  0.837  0.970  0.201  1.0
  O  O14  1  0.514  0.921  0.839  1.0
  O  O15  1  0.486  0.079  0.161  1.0
  O  O16  1  0.080  0.647  0.437  1.0
  O  O17  1  0.920  0.353  0.563  1.0
  O  O18  1  0.768  0.850  0.540  1.0
  O  O19  1  0.232  0.150  0.460  1.0
  O  O20  1  0.712  0.494  0.942  1.0
  O  O21  1  0.288  0.506  0.058  1.0
  O  O22  1  0.178  0.971  0.304  1.0
  O  O23  1  0.822  0.029  0.696  1.0
  O  O24  1  0.428  0.785  0.451  1.0
  O  O25  1  0.572  0.215  0.549  1.0
  O  O26  1  0.083  0.334  0.937  1.0
  O  O27  1  0.917  0.666  0.063  1.0
  O  O28  1  0.215  0.879  0.962  1.0
  O  O29  1  0.785  0.121  0.038  1.0
  O  O30  1  0.295  0.512  0.565  1.0
  O  O31  1  0.705  0.488  0.435  1.0
  O  O32  1  0.734  0.660  0.696  1.0
  O  O33  1  0.266  0.340  0.304  1.0
  O  O34  1  0.497  0.346  0.748  1.0
  O  O35  1  0.503  0.654  0.252  1.0
  O  O36  1  0.003  0.569  0.246  1.0
  O  O37  1  0.997  0.431  0.754  1.0
  O  O38  1  0.434  0.216  0.961  1.0
  O  O39  1  0.566  0.784  0.039  1.0
  O  O40  1  0.470  0.912  0.661  1.0
  O  O41  1  0.530  0.088  0.339  1.0
  O  O42  1  0.854  0.834  0.907  1.0
  O  O43  1  0.146  0.166  0.093  1.0
  O  O44  1  0.252  0.662  0.816  1.0
  O  O45  1  0.748  0.338  0.184  1.0
  O  O46  1  0.141  0.853  0.580  1.0
  O  O47  1  0.859  0.147  0.420  1.0
[/CIF]
.
The crystal structure described by BaRe2O9 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(12), one O(13), one O(14), one O(16), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(15), one O(18), one O(3), one O(4), one O(6), and one O(7) atom. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded in a tetrahedral geometry to one O(11), one O(15), one O(4), and one O(6) atom. In the second Re site, Re(2) is bonded in a tetrahedral geometry to one O(14), one O(16), one O(5), and one O(8) atom. In the third Re site, Re(3) is bonded in a tetrahedral geometry to one O(1), one O(17), one O(2), and one O(9) atom. In the fourth Re site, Re(4) is bonded in a tetrahedral geometry to one O(10), one O(18), one O(3), and one O(7) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Re(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one Re(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2) and one Re(4) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(2) and one Re(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Re(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Re(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(2) and one Re(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1) and one Re(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Re(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Re(4) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Re(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Ba(1) and one Ba(2) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(1) and one Re(2) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Ba(2) and one Re(1) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Ba(1) and one Re(2) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one Re(3) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Ba(2) and one Re(4) atom. is represented by the CIF file [CIF]
data_BaRe2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.521
_cell_length_b   7.669
_cell_length_c   15.789
_cell_angle_alpha   89.657
_cell_angle_beta   84.174
_cell_angle_gamma   89.873
_symmetry_Int_Tables_number   1
_cell_volume   905.937
_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  0.221  0.829  0.132  1.0
  Ba  Ba1  1  0.779  0.171  0.868  1.0
  Ba  Ba2  1  0.219  0.181  0.631  1.0
  Ba  Ba3  1  0.781  0.819  0.369  1.0
  Re  Re4  1  0.700  0.863  0.649  1.0
  Re  Re5  1  0.300  0.137  0.351  1.0
  Re  Re6  1  0.762  0.694  0.988  1.0
  Re  Re7  1  0.238  0.306  0.012  1.0
  Re  Re8  1  0.284  0.872  0.853  1.0
  Re  Re9  1  0.716  0.128  0.147  1.0
  Re  Re10  1  0.236  0.697  0.509  1.0
  Re  Re11  1  0.764  0.303  0.491  1.0
  O  O12  1  0.163  0.030  0.799  1.0
  O  O13  1  0.837  0.970  0.201  1.0
  O  O14  1  0.514  0.921  0.839  1.0
  O  O15  1  0.486  0.079  0.161  1.0
  O  O16  1  0.080  0.647  0.437  1.0
  O  O17  1  0.920  0.353  0.563  1.0
  O  O18  1  0.768  0.850  0.540  1.0
  O  O19  1  0.232  0.150  0.460  1.0
  O  O20  1  0.712  0.494  0.942  1.0
  O  O21  1  0.288  0.506  0.058  1.0
  O  O22  1  0.178  0.971  0.304  1.0
  O  O23  1  0.822  0.029  0.696  1.0
  O  O24  1  0.428  0.785  0.451  1.0
  O  O25  1  0.572  0.215  0.549  1.0
  O  O26  1  0.083  0.334  0.937  1.0
  O  O27  1  0.917  0.666  0.063  1.0
  O  O28  1  0.215  0.879  0.962  1.0
  O  O29  1  0.785  0.121  0.038  1.0
  O  O30  1  0.295  0.512  0.565  1.0
  O  O31  1  0.705  0.488  0.435  1.0
  O  O32  1  0.734  0.660  0.696  1.0
  O  O33  1  0.266  0.340  0.304  1.0
  O  O34  1  0.497  0.346  0.748  1.0
  O  O35  1  0.503  0.654  0.252  1.0
  O  O36  1  0.003  0.569  0.246  1.0
  O  O37  1  0.997  0.431  0.754  1.0
  O  O38  1  0.434  0.216  0.961  1.0
  O  O39  1  0.566  0.784  0.039  1.0
  O  O40  1  0.470  0.912  0.661  1.0
  O  O41  1  0.530  0.088  0.339  1.0
  O  O42  1  0.854  0.834  0.907  1.0
  O  O43  1  0.146  0.166  0.093  1.0
  O  O44  1  0.252  0.662  0.816  1.0
  O  O45  1  0.748  0.338  0.184  1.0
  O  O46  1  0.141  0.853  0.580  1.0
  O  O47  1  0.859  0.147  0.420  1.0
[/CIF]
.