The structure described by Ba2Gd(BO3)2Cl crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(4), and four equivalent Cl(1) atoms. Gd(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted edge-sharing GdO7 pentagonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Gd(1), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Gd(1), and one B(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one Gd(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), three equivalent Ba(2), and one B(1) atom. Cl(1) is bonded to two equivalent Ba(1) and four equivalent Ba(2) atoms to form a mixture of distorted corner and edge-sharing ClBa6 octahedra. The corner-sharing octahedral tilt angles are 5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2GdB2ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.350
_cell_length_b   6.490
_cell_length_c   11.422
_cell_angle_alpha   83.797
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   394.323
_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  0.750  0.405  0.708  1.0
  Ba  Ba1  1  0.250  0.595  0.292  1.0
  Ba  Ba2  1  0.750  0.159  0.074  1.0
  Ba  Ba3  1  0.250  0.841  0.926  1.0
  Gd  Gd4  1  0.750  0.154  0.412  1.0
  Gd  Gd5  1  0.250  0.846  0.588  1.0
  B  B6  1  0.250  0.126  0.223  1.0
  B  B7  1  0.750  0.874  0.777  1.0
  B  B8  1  0.750  0.711  0.425  1.0
  B  B9  1  0.250  0.289  0.575  1.0
  Cl  Cl10  1  0.750  0.651  0.085  1.0
  Cl  Cl11  1  0.250  0.349  0.915  1.0
  O  O12  1  0.471  0.211  0.259  1.0
  O  O13  1  0.971  0.789  0.741  1.0
  O  O14  1  0.529  0.789  0.741  1.0
  O  O15  1  0.029  0.211  0.259  1.0
  O  O16  1  0.531  0.824  0.433  1.0
  O  O17  1  0.031  0.176  0.567  1.0
  O  O18  1  0.469  0.176  0.567  1.0
  O  O19  1  0.969  0.824  0.433  1.0
  O  O20  1  0.750  0.511  0.403  1.0
  O  O21  1  0.250  0.489  0.597  1.0
  O  O22  1  0.250  0.977  0.146  1.0
  O  O23  1  0.750  0.023  0.854  1.0
[/CIF]
.
The structure described by Ba2Gd(BO3)2Cl crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(4), and four equivalent Cl(1) atoms. Gd(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted edge-sharing GdO7 pentagonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Gd(1), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Gd(1), and one B(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one Gd(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), three equivalent Ba(2), and one B(1) atom. Cl(1) is bonded to two equivalent Ba(1) and four equivalent Ba(2) atoms to form a mixture of distorted corner and edge-sharing ClBa6 octahedra. The corner-sharing octahedral tilt angles are 5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2GdB2ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.350
_cell_length_b   6.490
_cell_length_c   11.422
_cell_angle_alpha   83.797
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   394.323
_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  0.750  0.405  0.708  1.0
  Ba  Ba1  1  0.250  0.595  0.292  1.0
  Ba  Ba2  1  0.750  0.159  0.074  1.0
  Ba  Ba3  1  0.250  0.841  0.926  1.0
  Gd  Gd4  1  0.750  0.154  0.412  1.0
  Gd  Gd5  1  0.250  0.846  0.588  1.0
  B  B6  1  0.250  0.126  0.223  1.0
  B  B7  1  0.750  0.874  0.777  1.0
  B  B8  1  0.750  0.711  0.425  1.0
  B  B9  1  0.250  0.289  0.575  1.0
  Cl  Cl10  1  0.750  0.651  0.085  1.0
  Cl  Cl11  1  0.250  0.349  0.915  1.0
  O  O12  1  0.471  0.211  0.259  1.0
  O  O13  1  0.971  0.789  0.741  1.0
  O  O14  1  0.529  0.789  0.741  1.0
  O  O15  1  0.029  0.211  0.259  1.0
  O  O16  1  0.531  0.824  0.433  1.0
  O  O17  1  0.031  0.176  0.567  1.0
  O  O18  1  0.469  0.176  0.567  1.0
  O  O19  1  0.969  0.824  0.433  1.0
  O  O20  1  0.750  0.511  0.403  1.0
  O  O21  1  0.250  0.489  0.597  1.0
  O  O22  1  0.250  0.977  0.146  1.0
  O  O23  1  0.750  0.023  0.854  1.0
[/CIF]
.