The structure described by BaGdCl5 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), and six equivalent Cl(3) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), and four equivalent Cl(2) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Gd(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Gd(1) atoms. In the third Cl site, Cl(3) is bonded to three equivalent Ba(1) and one Gd(1) atom to form a mixture of edge and corner-sharing ClBa3Gd tetrahedra. is represented by the CIF file [CIF]
data_BaGdCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.543
_cell_length_b   6.873
_cell_length_c   10.070
_cell_angle_alpha   89.157
_cell_angle_beta   74.024
_cell_angle_gamma   86.935
_symmetry_Int_Tables_number   1
_cell_volume   368.321
_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  0.328  0.250  0.344  1.0
  Ba  Ba1  1  0.672  0.750  0.656  1.0
  Gd  Gd2  1  0.077  0.250  0.846  1.0
  Gd  Gd3  1  0.923  0.750  0.154  1.0
  Cl  Cl4  1  0.627  0.250  0.746  1.0
  Cl  Cl5  1  0.373  0.750  0.254  1.0
  Cl  Cl6  1  0.276  0.903  0.935  1.0
  Cl  Cl7  1  0.789  0.597  0.935  1.0
  Cl  Cl8  1  0.819  0.002  0.377  1.0
  Cl  Cl9  1  0.804  0.498  0.377  1.0
  Cl  Cl10  1  0.181  0.998  0.623  1.0
  Cl  Cl11  1  0.196  0.502  0.623  1.0
  Cl  Cl12  1  0.211  0.403  0.065  1.0
  Cl  Cl13  1  0.724  0.097  0.065  1.0
[/CIF]
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The structure described by BaGdCl5 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), and six equivalent Cl(3) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(3), and four equivalent Cl(2) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Gd(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Gd(1) atoms. In the third Cl site, Cl(3) is bonded to three equivalent Ba(1) and one Gd(1) atom to form a mixture of edge and corner-sharing ClBa3Gd tetrahedra. is represented by the CIF file [CIF]
data_BaGdCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.543
_cell_length_b   6.873
_cell_length_c   10.070
_cell_angle_alpha   89.157
_cell_angle_beta   74.024
_cell_angle_gamma   86.935
_symmetry_Int_Tables_number   1
_cell_volume   368.321
_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  0.328  0.250  0.344  1.0
  Ba  Ba1  1  0.672  0.750  0.656  1.0
  Gd  Gd2  1  0.077  0.250  0.846  1.0
  Gd  Gd3  1  0.923  0.750  0.154  1.0
  Cl  Cl4  1  0.627  0.250  0.746  1.0
  Cl  Cl5  1  0.373  0.750  0.254  1.0
  Cl  Cl6  1  0.276  0.903  0.935  1.0
  Cl  Cl7  1  0.789  0.597  0.935  1.0
  Cl  Cl8  1  0.819  0.002  0.377  1.0
  Cl  Cl9  1  0.804  0.498  0.377  1.0
  Cl  Cl10  1  0.181  0.998  0.623  1.0
  Cl  Cl11  1  0.196  0.502  0.623  1.0
  Cl  Cl12  1  0.211  0.403  0.065  1.0
  Cl  Cl13  1  0.724  0.097  0.065  1.0
[/CIF]
.