The crystal structure described by BaY2Br8 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Br(3), two equivalent Br(4), and four equivalent Br(2) atoms. Y(1) is bonded in a 5-coordinate geometry to one Br(1), one Br(2), one Br(3), and two equivalent Br(4) atoms. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Y(1) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the third Br site, Br(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one Y(1) atom. In the fourth Br site, Br(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Y(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaY2Br8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.373
_cell_length_b   10.373
_cell_length_c   11.107
_cell_angle_alpha   65.800
_cell_angle_beta   65.800
_cell_angle_gamma   68.779
_symmetry_Int_Tables_number   1
_cell_volume   966.805
_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  0.972  0.028  0.250  1.0
  Ba  Ba1  1  0.028  0.972  0.750  1.0
  Y  Y2  1  0.492  0.940  0.230  1.0
  Y  Y3  1  0.940  0.492  0.730  1.0
  Y  Y4  1  0.060  0.508  0.270  1.0
  Y  Y5  1  0.508  0.060  0.770  1.0
  Br  Br6  1  0.598  0.663  0.329  1.0
  Br  Br7  1  0.212  0.979  0.415  1.0
  Br  Br8  1  0.937  0.368  0.205  1.0
  Br  Br9  1  0.324  0.980  0.056  1.0
  Br  Br10  1  0.663  0.598  0.829  1.0
  Br  Br11  1  0.979  0.212  0.915  1.0
  Br  Br12  1  0.368  0.937  0.705  1.0
  Br  Br13  1  0.980  0.324  0.556  1.0
  Br  Br14  1  0.020  0.676  0.444  1.0
  Br  Br15  1  0.632  0.063  0.295  1.0
  Br  Br16  1  0.021  0.788  0.085  1.0
  Br  Br17  1  0.337  0.402  0.171  1.0
  Br  Br18  1  0.676  0.020  0.944  1.0
  Br  Br19  1  0.063  0.632  0.795  1.0
  Br  Br20  1  0.788  0.021  0.585  1.0
  Br  Br21  1  0.402  0.337  0.671  1.0
[/CIF]
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The crystal structure described by BaY2Br8 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Br(3), two equivalent Br(4), and four equivalent Br(2) atoms. Y(1) is bonded in a 5-coordinate geometry to one Br(1), one Br(2), one Br(3), and two equivalent Br(4) atoms. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Y(1) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the third Br site, Br(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one Y(1) atom. In the fourth Br site, Br(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Y(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaY2Br8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.373
_cell_length_b   10.373
_cell_length_c   11.107
_cell_angle_alpha   65.800
_cell_angle_beta   65.800
_cell_angle_gamma   68.779
_symmetry_Int_Tables_number   1
_cell_volume   966.805
_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  0.972  0.028  0.250  1.0
  Ba  Ba1  1  0.028  0.972  0.750  1.0
  Y  Y2  1  0.492  0.940  0.230  1.0
  Y  Y3  1  0.940  0.492  0.730  1.0
  Y  Y4  1  0.060  0.508  0.270  1.0
  Y  Y5  1  0.508  0.060  0.770  1.0
  Br  Br6  1  0.598  0.663  0.329  1.0
  Br  Br7  1  0.212  0.979  0.415  1.0
  Br  Br8  1  0.937  0.368  0.205  1.0
  Br  Br9  1  0.324  0.980  0.056  1.0
  Br  Br10  1  0.663  0.598  0.829  1.0
  Br  Br11  1  0.979  0.212  0.915  1.0
  Br  Br12  1  0.368  0.937  0.705  1.0
  Br  Br13  1  0.980  0.324  0.556  1.0
  Br  Br14  1  0.020  0.676  0.444  1.0
  Br  Br15  1  0.632  0.063  0.295  1.0
  Br  Br16  1  0.021  0.788  0.085  1.0
  Br  Br17  1  0.337  0.402  0.171  1.0
  Br  Br18  1  0.676  0.020  0.944  1.0
  Br  Br19  1  0.063  0.632  0.795  1.0
  Br  Br20  1  0.788  0.021  0.585  1.0
  Br  Br21  1  0.402  0.337  0.671  1.0
[/CIF]
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