The material structure described by Ba2YCl7 crystallizes in the orthorhombic Pnma 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), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. In the second Ba site, Ba(2) is bonded to one Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms to form distorted BaCl7 pentagonal bipyramids that share corners with two equivalent Y(1)Cl6 pentagonal pyramids and edges with two equivalent Y(1)Cl6 pentagonal pyramids. Y(1) is bonded to two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms to form distorted YCl6 pentagonal pyramids that share corners with two equivalent Ba(2)Cl7 pentagonal bipyramids and edges with two equivalent Ba(2)Cl7 pentagonal bipyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Ba(1) and one Ba(2) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the third Cl site, Cl(3) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. 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. is represented by the CIF card [CIF]
data_Ba2YCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.636
_cell_length_b   12.965
_cell_length_c   15.384
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1523.102
_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  0.250  0.257  0.456  1.0
  Ba  Ba1  1  0.250  0.259  0.744  1.0
  Ba  Ba2  1  0.750  0.241  0.244  1.0
  Ba  Ba3  1  0.750  0.243  0.956  1.0
  Ba  Ba4  1  0.250  0.757  0.044  1.0
  Ba  Ba5  1  0.250  0.759  0.756  1.0
  Ba  Ba6  1  0.750  0.741  0.256  1.0
  Ba  Ba7  1  0.750  0.743  0.544  1.0
  Y  Y8  1  0.250  0.941  0.306  1.0
  Y  Y9  1  0.750  0.559  0.806  1.0
  Y  Y10  1  0.250  0.441  0.194  1.0
  Y  Y11  1  0.750  0.059  0.694  1.0
  Cl  Cl12  1  0.750  0.094  0.099  1.0
  Cl  Cl13  1  0.028  0.097  0.342  1.0
  Cl  Cl14  1  0.472  0.097  0.342  1.0
  Cl  Cl15  1  0.968  0.109  0.823  1.0
  Cl  Cl16  1  0.532  0.109  0.823  1.0
  Cl  Cl17  1  0.522  0.170  0.602  1.0
  Cl  Cl18  1  0.978  0.170  0.602  1.0
  Cl  Cl19  1  0.022  0.330  0.102  1.0
  Cl  Cl20  1  0.478  0.330  0.102  1.0
  Cl  Cl21  1  0.032  0.391  0.323  1.0
  Cl  Cl22  1  0.468  0.391  0.323  1.0
  Cl  Cl23  1  0.972  0.403  0.842  1.0
  Cl  Cl24  1  0.528  0.403  0.842  1.0
  Cl  Cl25  1  0.250  0.406  0.599  1.0
  Cl  Cl26  1  0.750  0.594  0.401  1.0
  Cl  Cl27  1  0.028  0.597  0.158  1.0
  Cl  Cl28  1  0.472  0.597  0.158  1.0
  Cl  Cl29  1  0.968  0.609  0.677  1.0
  Cl  Cl30  1  0.532  0.609  0.677  1.0
  Cl  Cl31  1  0.978  0.670  0.898  1.0
  Cl  Cl32  1  0.522  0.670  0.898  1.0
  Cl  Cl33  1  0.478  0.830  0.398  1.0
  Cl  Cl34  1  0.022  0.830  0.398  1.0
  Cl  Cl35  1  0.468  0.891  0.177  1.0
  Cl  Cl36  1  0.032  0.891  0.177  1.0
  Cl  Cl37  1  0.528  0.903  0.658  1.0
  Cl  Cl38  1  0.972  0.903  0.658  1.0
  Cl  Cl39  1  0.250  0.906  0.901  1.0
[/CIF]
.
The material structure described by Ba2YCl7 crystallizes in the orthorhombic Pnma 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), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. In the second Ba site, Ba(2) is bonded to one Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms to form distorted BaCl7 pentagonal bipyramids that share corners with two equivalent Y(1)Cl6 pentagonal pyramids and edges with two equivalent Y(1)Cl6 pentagonal pyramids. Y(1) is bonded to two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms to form distorted YCl6 pentagonal pyramids that share corners with two equivalent Ba(2)Cl7 pentagonal bipyramids and edges with two equivalent Ba(2)Cl7 pentagonal bipyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Ba(1) and one Ba(2) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the third Cl site, Cl(3) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Y(1) atom. 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. is represented by the CIF card [CIF]
data_Ba2YCl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.636
_cell_length_b   12.965
_cell_length_c   15.384
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1523.102
_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  0.250  0.257  0.456  1.0
  Ba  Ba1  1  0.250  0.259  0.744  1.0
  Ba  Ba2  1  0.750  0.241  0.244  1.0
  Ba  Ba3  1  0.750  0.243  0.956  1.0
  Ba  Ba4  1  0.250  0.757  0.044  1.0
  Ba  Ba5  1  0.250  0.759  0.756  1.0
  Ba  Ba6  1  0.750  0.741  0.256  1.0
  Ba  Ba7  1  0.750  0.743  0.544  1.0
  Y  Y8  1  0.250  0.941  0.306  1.0
  Y  Y9  1  0.750  0.559  0.806  1.0
  Y  Y10  1  0.250  0.441  0.194  1.0
  Y  Y11  1  0.750  0.059  0.694  1.0
  Cl  Cl12  1  0.750  0.094  0.099  1.0
  Cl  Cl13  1  0.028  0.097  0.342  1.0
  Cl  Cl14  1  0.472  0.097  0.342  1.0
  Cl  Cl15  1  0.968  0.109  0.823  1.0
  Cl  Cl16  1  0.532  0.109  0.823  1.0
  Cl  Cl17  1  0.522  0.170  0.602  1.0
  Cl  Cl18  1  0.978  0.170  0.602  1.0
  Cl  Cl19  1  0.022  0.330  0.102  1.0
  Cl  Cl20  1  0.478  0.330  0.102  1.0
  Cl  Cl21  1  0.032  0.391  0.323  1.0
  Cl  Cl22  1  0.468  0.391  0.323  1.0
  Cl  Cl23  1  0.972  0.403  0.842  1.0
  Cl  Cl24  1  0.528  0.403  0.842  1.0
  Cl  Cl25  1  0.250  0.406  0.599  1.0
  Cl  Cl26  1  0.750  0.594  0.401  1.0
  Cl  Cl27  1  0.028  0.597  0.158  1.0
  Cl  Cl28  1  0.472  0.597  0.158  1.0
  Cl  Cl29  1  0.968  0.609  0.677  1.0
  Cl  Cl30  1  0.532  0.609  0.677  1.0
  Cl  Cl31  1  0.978  0.670  0.898  1.0
  Cl  Cl32  1  0.522  0.670  0.898  1.0
  Cl  Cl33  1  0.478  0.830  0.398  1.0
  Cl  Cl34  1  0.022  0.830  0.398  1.0
  Cl  Cl35  1  0.468  0.891  0.177  1.0
  Cl  Cl36  1  0.032  0.891  0.177  1.0
  Cl  Cl37  1  0.528  0.903  0.658  1.0
  Cl  Cl38  1  0.972  0.903  0.658  1.0
  Cl  Cl39  1  0.250  0.906  0.901  1.0
[/CIF]
.