The material described by Ba2YCl7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(2), one Cl(4), one Cl(6), one Cl(7), and two equivalent Cl(3) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), and one Cl(7) atom. Y(1) is bonded in an octahedral geometry to one Cl(1), one Cl(2), one Cl(4), one Cl(5), one Cl(6), and one Cl(7) atom. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2) and two equivalent Ba(1) atoms. In the fourth Cl site, Cl(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fifth Cl site, Cl(5) is bonded in a distorted bent 120 degrees geometry to one Ba(2) and one Y(1) atom. In the sixth Cl site, Cl(6) is bonded in a T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh Cl site, Cl(7) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.304
_cell_length_b   7.688
_cell_length_c   12.109
_cell_angle_alpha   80.363
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1312.817
_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  0.566  0.328  0.171  1.0
  Ba  Ba1  1  0.879  0.195  0.209  1.0
  Ba  Ba2  1  0.379  0.805  0.291  1.0
  Ba  Ba3  1  0.066  0.672  0.329  1.0
  Ba  Ba4  1  0.934  0.328  0.671  1.0
  Ba  Ba5  1  0.621  0.195  0.709  1.0
  Ba  Ba6  1  0.121  0.805  0.791  1.0
  Ba  Ba7  1  0.434  0.672  0.829  1.0
  Y  Y8  1  0.206  0.163  0.015  1.0
  Y  Y9  1  0.706  0.837  0.485  1.0
  Y  Y10  1  0.294  0.163  0.515  1.0
  Y  Y11  1  0.794  0.837  0.985  1.0
  Cl  Cl12  1  0.188  0.827  0.113  1.0
  Cl  Cl13  1  0.374  0.152  0.108  1.0
  Cl  Cl14  1  0.435  0.635  0.092  1.0
  Cl  Cl15  1  0.942  0.858  0.114  1.0
  Cl  Cl16  1  0.090  0.321  0.140  1.0
  Cl  Cl17  1  0.703  0.999  0.138  1.0
  Cl  Cl18  1  0.757  0.526  0.116  1.0
  Cl  Cl19  1  0.257  0.474  0.384  1.0
  Cl  Cl20  1  0.203  0.001  0.362  1.0
  Cl  Cl21  1  0.590  0.679  0.360  1.0
  Cl  Cl22  1  0.442  0.142  0.386  1.0
  Cl  Cl23  1  0.935  0.365  0.408  1.0
  Cl  Cl24  1  0.874  0.848  0.392  1.0
  Cl  Cl25  1  0.688  0.173  0.387  1.0
  Cl  Cl26  1  0.312  0.827  0.613  1.0
  Cl  Cl27  1  0.126  0.152  0.608  1.0
  Cl  Cl28  1  0.065  0.635  0.592  1.0
  Cl  Cl29  1  0.558  0.858  0.614  1.0
  Cl  Cl30  1  0.410  0.321  0.640  1.0
  Cl  Cl31  1  0.797  0.999  0.638  1.0
  Cl  Cl32  1  0.743  0.526  0.616  1.0
  Cl  Cl33  1  0.243  0.474  0.884  1.0
  Cl  Cl34  1  0.297  0.001  0.862  1.0
  Cl  Cl35  1  0.910  0.679  0.860  1.0
  Cl  Cl36  1  0.058  0.142  0.886  1.0
  Cl  Cl37  1  0.565  0.365  0.908  1.0
  Cl  Cl38  1  0.626  0.848  0.892  1.0
  Cl  Cl39  1  0.812  0.173  0.887  1.0
[/CIF]
.
The material described by Ba2YCl7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(2), one Cl(4), one Cl(6), one Cl(7), and two equivalent Cl(3) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), and one Cl(7) atom. Y(1) is bonded in an octahedral geometry to one Cl(1), one Cl(2), one Cl(4), one Cl(5), one Cl(6), and one Cl(7) atom. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2) and two equivalent Ba(1) atoms. In the fourth Cl site, Cl(4) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the fifth Cl site, Cl(5) is bonded in a distorted bent 120 degrees geometry to one Ba(2) and one Y(1) atom. In the sixth Cl site, Cl(6) is bonded in a T-shaped geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the seventh Cl site, Cl(7) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), and one Y(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.304
_cell_length_b   7.688
_cell_length_c   12.109
_cell_angle_alpha   80.363
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1312.817
_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  0.566  0.328  0.171  1.0
  Ba  Ba1  1  0.879  0.195  0.209  1.0
  Ba  Ba2  1  0.379  0.805  0.291  1.0
  Ba  Ba3  1  0.066  0.672  0.329  1.0
  Ba  Ba4  1  0.934  0.328  0.671  1.0
  Ba  Ba5  1  0.621  0.195  0.709  1.0
  Ba  Ba6  1  0.121  0.805  0.791  1.0
  Ba  Ba7  1  0.434  0.672  0.829  1.0
  Y  Y8  1  0.206  0.163  0.015  1.0
  Y  Y9  1  0.706  0.837  0.485  1.0
  Y  Y10  1  0.294  0.163  0.515  1.0
  Y  Y11  1  0.794  0.837  0.985  1.0
  Cl  Cl12  1  0.188  0.827  0.113  1.0
  Cl  Cl13  1  0.374  0.152  0.108  1.0
  Cl  Cl14  1  0.435  0.635  0.092  1.0
  Cl  Cl15  1  0.942  0.858  0.114  1.0
  Cl  Cl16  1  0.090  0.321  0.140  1.0
  Cl  Cl17  1  0.703  0.999  0.138  1.0
  Cl  Cl18  1  0.757  0.526  0.116  1.0
  Cl  Cl19  1  0.257  0.474  0.384  1.0
  Cl  Cl20  1  0.203  0.001  0.362  1.0
  Cl  Cl21  1  0.590  0.679  0.360  1.0
  Cl  Cl22  1  0.442  0.142  0.386  1.0
  Cl  Cl23  1  0.935  0.365  0.408  1.0
  Cl  Cl24  1  0.874  0.848  0.392  1.0
  Cl  Cl25  1  0.688  0.173  0.387  1.0
  Cl  Cl26  1  0.312  0.827  0.613  1.0
  Cl  Cl27  1  0.126  0.152  0.608  1.0
  Cl  Cl28  1  0.065  0.635  0.592  1.0
  Cl  Cl29  1  0.558  0.858  0.614  1.0
  Cl  Cl30  1  0.410  0.321  0.640  1.0
  Cl  Cl31  1  0.797  0.999  0.638  1.0
  Cl  Cl32  1  0.743  0.526  0.616  1.0
  Cl  Cl33  1  0.243  0.474  0.884  1.0
  Cl  Cl34  1  0.297  0.001  0.862  1.0
  Cl  Cl35  1  0.910  0.679  0.860  1.0
  Cl  Cl36  1  0.058  0.142  0.886  1.0
  Cl  Cl37  1  0.565  0.365  0.908  1.0
  Cl  Cl38  1  0.626  0.848  0.892  1.0
  Cl  Cl39  1  0.812  0.173  0.887  1.0
[/CIF]
.