The compound described by BaY2Cl8 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(2) atoms. Y(1) is bonded in a 5-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Y(1) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the third Cl site, Cl(3) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Y(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_BaY2Cl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.907
_cell_length_b   9.907
_cell_length_c   10.555
_cell_angle_alpha   65.394
_cell_angle_beta   65.394
_cell_angle_gamma   67.923
_symmetry_Int_Tables_number   1
_cell_volume   830.227
_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  0.969  0.031  0.250  1.0
  Ba  Ba1  1  0.031  0.969  0.750  1.0
  Y  Y2  1  0.491  0.943  0.229  1.0
  Y  Y3  1  0.943  0.491  0.729  1.0
  Y  Y4  1  0.057  0.509  0.271  1.0
  Y  Y5  1  0.509  0.057  0.771  1.0
  Cl  Cl6  1  0.600  0.668  0.325  1.0
  Cl  Cl7  1  0.212  0.980  0.413  1.0
  Cl  Cl8  1  0.941  0.366  0.206  1.0
  Cl  Cl9  1  0.325  0.982  0.055  1.0
  Cl  Cl10  1  0.668  0.600  0.825  1.0
  Cl  Cl11  1  0.980  0.212  0.913  1.0
  Cl  Cl12  1  0.366  0.941  0.706  1.0
  Cl  Cl13  1  0.982  0.325  0.555  1.0
  Cl  Cl14  1  0.018  0.675  0.445  1.0
  Cl  Cl15  1  0.634  0.059  0.294  1.0
  Cl  Cl16  1  0.020  0.788  0.087  1.0
  Cl  Cl17  1  0.332  0.400  0.175  1.0
  Cl  Cl18  1  0.675  0.018  0.945  1.0
  Cl  Cl19  1  0.059  0.634  0.794  1.0
  Cl  Cl20  1  0.788  0.020  0.587  1.0
  Cl  Cl21  1  0.400  0.332  0.675  1.0
[/CIF]
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The compound described by BaY2Cl8 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(2) atoms. Y(1) is bonded in a 5-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Y(1) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Y(1) atom. In the third Cl site, Cl(3) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Y(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_BaY2Cl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.907
_cell_length_b   9.907
_cell_length_c   10.555
_cell_angle_alpha   65.394
_cell_angle_beta   65.394
_cell_angle_gamma   67.923
_symmetry_Int_Tables_number   1
_cell_volume   830.227
_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  0.969  0.031  0.250  1.0
  Ba  Ba1  1  0.031  0.969  0.750  1.0
  Y  Y2  1  0.491  0.943  0.229  1.0
  Y  Y3  1  0.943  0.491  0.729  1.0
  Y  Y4  1  0.057  0.509  0.271  1.0
  Y  Y5  1  0.509  0.057  0.771  1.0
  Cl  Cl6  1  0.600  0.668  0.325  1.0
  Cl  Cl7  1  0.212  0.980  0.413  1.0
  Cl  Cl8  1  0.941  0.366  0.206  1.0
  Cl  Cl9  1  0.325  0.982  0.055  1.0
  Cl  Cl10  1  0.668  0.600  0.825  1.0
  Cl  Cl11  1  0.980  0.212  0.913  1.0
  Cl  Cl12  1  0.366  0.941  0.706  1.0
  Cl  Cl13  1  0.982  0.325  0.555  1.0
  Cl  Cl14  1  0.018  0.675  0.445  1.0
  Cl  Cl15  1  0.634  0.059  0.294  1.0
  Cl  Cl16  1  0.020  0.788  0.087  1.0
  Cl  Cl17  1  0.332  0.400  0.175  1.0
  Cl  Cl18  1  0.675  0.018  0.945  1.0
  Cl  Cl19  1  0.059  0.634  0.794  1.0
  Cl  Cl20  1  0.788  0.020  0.587  1.0
  Cl  Cl21  1  0.400  0.332  0.675  1.0
[/CIF]
.