The crystal structure described by Ba2YBr7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one Br(1), one Br(3), one Br(4), one Br(5), one Br(6), one Br(7), and two equivalent Br(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Br(3), one Br(4), one Br(5), one Br(6), and three equivalent Br(7) atoms. Y(1) is bonded in an octahedral geometry to one Br(1), one Br(2), one Br(3), one Br(4), one Br(5), and one Br(6) atom. There are seven inequivalent Br sites. In the first Br site, Br(6) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second Br site, Br(7) is bonded to one Ba(1) and three equivalent Ba(2) atoms to form a mixture of distorted corner and edge-sharing BrBa4 tetrahedra. In the third Br site, Br(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Y(1) atom. In the fourth Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Y(1) atom. In the fifth Br site, Br(3) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the sixth Br site, Br(4) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh Br site, Br(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. is represented by the CIF card [CIF]
data_Ba2YBr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.058
_cell_length_b   12.058
_cell_length_c   12.263
_cell_angle_alpha   65.641
_cell_angle_beta   65.641
_cell_angle_gamma   68.942
_symmetry_Int_Tables_number   1
_cell_volume   1440.811
_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  0.260  0.901  0.963  1.0
  Ba  Ba1  1  0.320  0.436  0.968  1.0
  Ba  Ba2  1  0.436  0.320  0.468  1.0
  Ba  Ba3  1  0.099  0.740  0.537  1.0
  Ba  Ba4  1  0.901  0.260  0.463  1.0
  Ba  Ba5  1  0.564  0.680  0.532  1.0
  Ba  Ba6  1  0.680  0.564  0.032  1.0
  Ba  Ba7  1  0.740  0.099  0.037  1.0
  Y  Y8  1  0.012  0.332  0.825  1.0
  Y  Y9  1  0.668  0.988  0.675  1.0
  Y  Y10  1  0.332  0.012  0.325  1.0
  Y  Y11  1  0.988  0.668  0.175  1.0
  Br  Br12  1  0.219  0.623  0.211  1.0
  Br  Br13  1  0.092  0.038  0.324  1.0
  Br  Br14  1  0.037  0.425  0.164  1.0
  Br  Br15  1  0.439  0.130  0.069  1.0
  Br  Br16  1  0.225  0.232  0.895  1.0
  Br  Br17  1  0.425  0.037  0.664  1.0
  Br  Br18  1  0.130  0.439  0.569  1.0
  Br  Br19  1  0.768  0.775  0.605  1.0
  Br  Br20  1  0.132  0.726  0.921  1.0
  Br  Br21  1  0.623  0.219  0.711  1.0
  Br  Br22  1  0.726  0.132  0.421  1.0
  Br  Br23  1  0.353  0.520  0.652  1.0
  Br  Br24  1  0.962  0.908  0.176  1.0
  Br  Br25  1  0.520  0.353  0.152  1.0
  Br  Br26  1  0.480  0.647  0.848  1.0
  Br  Br27  1  0.038  0.092  0.824  1.0
  Br  Br28  1  0.647  0.480  0.348  1.0
  Br  Br29  1  0.274  0.868  0.579  1.0
  Br  Br30  1  0.377  0.781  0.289  1.0
  Br  Br31  1  0.868  0.274  0.079  1.0
  Br  Br32  1  0.232  0.225  0.395  1.0
  Br  Br33  1  0.870  0.561  0.431  1.0
  Br  Br34  1  0.575  0.963  0.336  1.0
  Br  Br35  1  0.775  0.768  0.105  1.0
  Br  Br36  1  0.561  0.870  0.931  1.0
  Br  Br37  1  0.963  0.575  0.836  1.0
  Br  Br38  1  0.908  0.962  0.676  1.0
  Br  Br39  1  0.781  0.377  0.789  1.0
[/CIF]
.
The crystal structure described by Ba2YBr7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one Br(1), one Br(3), one Br(4), one Br(5), one Br(6), one Br(7), and two equivalent Br(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Br(3), one Br(4), one Br(5), one Br(6), and three equivalent Br(7) atoms. Y(1) is bonded in an octahedral geometry to one Br(1), one Br(2), one Br(3), one Br(4), one Br(5), and one Br(6) atom. There are seven inequivalent Br sites. In the first Br site, Br(6) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second Br site, Br(7) is bonded to one Ba(1) and three equivalent Ba(2) atoms to form a mixture of distorted corner and edge-sharing BrBa4 tetrahedra. In the third Br site, Br(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Y(1) atom. In the fourth Br site, Br(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Y(1) atom. In the fifth Br site, Br(3) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the sixth Br site, Br(4) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh Br site, Br(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. is represented by the CIF card [CIF]
data_Ba2YBr7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.058
_cell_length_b   12.058
_cell_length_c   12.263
_cell_angle_alpha   65.641
_cell_angle_beta   65.641
_cell_angle_gamma   68.942
_symmetry_Int_Tables_number   1
_cell_volume   1440.811
_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  0.260  0.901  0.963  1.0
  Ba  Ba1  1  0.320  0.436  0.968  1.0
  Ba  Ba2  1  0.436  0.320  0.468  1.0
  Ba  Ba3  1  0.099  0.740  0.537  1.0
  Ba  Ba4  1  0.901  0.260  0.463  1.0
  Ba  Ba5  1  0.564  0.680  0.532  1.0
  Ba  Ba6  1  0.680  0.564  0.032  1.0
  Ba  Ba7  1  0.740  0.099  0.037  1.0
  Y  Y8  1  0.012  0.332  0.825  1.0
  Y  Y9  1  0.668  0.988  0.675  1.0
  Y  Y10  1  0.332  0.012  0.325  1.0
  Y  Y11  1  0.988  0.668  0.175  1.0
  Br  Br12  1  0.219  0.623  0.211  1.0
  Br  Br13  1  0.092  0.038  0.324  1.0
  Br  Br14  1  0.037  0.425  0.164  1.0
  Br  Br15  1  0.439  0.130  0.069  1.0
  Br  Br16  1  0.225  0.232  0.895  1.0
  Br  Br17  1  0.425  0.037  0.664  1.0
  Br  Br18  1  0.130  0.439  0.569  1.0
  Br  Br19  1  0.768  0.775  0.605  1.0
  Br  Br20  1  0.132  0.726  0.921  1.0
  Br  Br21  1  0.623  0.219  0.711  1.0
  Br  Br22  1  0.726  0.132  0.421  1.0
  Br  Br23  1  0.353  0.520  0.652  1.0
  Br  Br24  1  0.962  0.908  0.176  1.0
  Br  Br25  1  0.520  0.353  0.152  1.0
  Br  Br26  1  0.480  0.647  0.848  1.0
  Br  Br27  1  0.038  0.092  0.824  1.0
  Br  Br28  1  0.647  0.480  0.348  1.0
  Br  Br29  1  0.274  0.868  0.579  1.0
  Br  Br30  1  0.377  0.781  0.289  1.0
  Br  Br31  1  0.868  0.274  0.079  1.0
  Br  Br32  1  0.232  0.225  0.395  1.0
  Br  Br33  1  0.870  0.561  0.431  1.0
  Br  Br34  1  0.575  0.963  0.336  1.0
  Br  Br35  1  0.775  0.768  0.105  1.0
  Br  Br36  1  0.561  0.870  0.931  1.0
  Br  Br37  1  0.963  0.575  0.836  1.0
  Br  Br38  1  0.908  0.962  0.676  1.0
  Br  Br39  1  0.781  0.377  0.789  1.0
[/CIF]
.