The structure described by Gd3(BO3)2F3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), three equivalent O(1), one F(1), and one F(2) atom. In the second Gd site, Gd(2) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), one F(2), and four equivalent F(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Gd(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Gd(2), two equivalent Gd(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Gd(2), two equivalent Gd(1), and one B(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Gd(1) and two equivalent Gd(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Gd(2) and two equivalent Gd(1) atoms. is represented by the CIF file [CIF]
data_Gd3B2(O2F)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.237
_cell_length_b   7.145
_cell_length_c   8.365
_cell_angle_alpha   96.184
_cell_angle_beta   90.000
_cell_angle_gamma   115.877
_symmetry_Int_Tables_number   1
_cell_volume   332.955
_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
  Gd  Gd0  1  0.786  0.356  0.180  1.0
  Gd  Gd1  1  0.214  0.644  0.820  1.0
  Gd  Gd2  1  0.104  0.000  0.250  1.0
  Gd  Gd3  1  0.896  0.000  0.750  1.0
  Gd  Gd4  1  0.430  0.644  0.320  1.0
  Gd  Gd5  1  0.570  0.356  0.680  1.0
  B  B6  1  0.272  0.362  0.021  1.0
  B  B7  1  0.728  0.638  0.979  1.0
  B  B8  1  0.090  0.362  0.521  1.0
  B  B9  1  0.910  0.638  0.479  1.0
  O  O10  1  0.684  0.478  0.425  1.0
  O  O11  1  0.949  0.701  0.643  1.0
  O  O12  1  0.206  0.522  0.075  1.0
  O  O13  1  0.082  0.701  0.366  1.0
  O  O14  1  0.248  0.299  0.857  1.0
  O  O15  1  0.381  0.299  0.134  1.0
  O  O16  1  0.619  0.701  0.866  1.0
  O  O17  1  0.794  0.478  0.925  1.0
  O  O18  1  0.316  0.522  0.575  1.0
  O  O19  1  0.918  0.299  0.634  1.0
  O  O20  1  0.752  0.701  0.143  1.0
  O  O21  1  0.051  0.299  0.357  1.0
  F  F22  1  0.127  0.895  0.959  1.0
  F  F23  1  0.873  0.105  0.041  1.0
  F  F24  1  0.768  0.895  0.459  1.0
  F  F25  1  0.478  0.000  0.250  1.0
  F  F26  1  0.232  0.105  0.541  1.0
  F  F27  1  0.522  0.000  0.750  1.0
[/CIF]
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The structure described by Gd3(BO3)2F3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), three equivalent O(1), one F(1), and one F(2) atom. In the second Gd site, Gd(2) is bonded in a 9-coordinate geometry to two equivalent O(2), two equivalent O(3), one F(2), and four equivalent F(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Gd(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Gd(2), two equivalent Gd(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Gd(2), two equivalent Gd(1), and one B(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Gd(1) and two equivalent Gd(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Gd(2) and two equivalent Gd(1) atoms. is represented by the CIF file [CIF]
data_Gd3B2(O2F)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.237
_cell_length_b   7.145
_cell_length_c   8.365
_cell_angle_alpha   96.184
_cell_angle_beta   90.000
_cell_angle_gamma   115.877
_symmetry_Int_Tables_number   1
_cell_volume   332.955
_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
  Gd  Gd0  1  0.786  0.356  0.180  1.0
  Gd  Gd1  1  0.214  0.644  0.820  1.0
  Gd  Gd2  1  0.104  0.000  0.250  1.0
  Gd  Gd3  1  0.896  0.000  0.750  1.0
  Gd  Gd4  1  0.430  0.644  0.320  1.0
  Gd  Gd5  1  0.570  0.356  0.680  1.0
  B  B6  1  0.272  0.362  0.021  1.0
  B  B7  1  0.728  0.638  0.979  1.0
  B  B8  1  0.090  0.362  0.521  1.0
  B  B9  1  0.910  0.638  0.479  1.0
  O  O10  1  0.684  0.478  0.425  1.0
  O  O11  1  0.949  0.701  0.643  1.0
  O  O12  1  0.206  0.522  0.075  1.0
  O  O13  1  0.082  0.701  0.366  1.0
  O  O14  1  0.248  0.299  0.857  1.0
  O  O15  1  0.381  0.299  0.134  1.0
  O  O16  1  0.619  0.701  0.866  1.0
  O  O17  1  0.794  0.478  0.925  1.0
  O  O18  1  0.316  0.522  0.575  1.0
  O  O19  1  0.918  0.299  0.634  1.0
  O  O20  1  0.752  0.701  0.143  1.0
  O  O21  1  0.051  0.299  0.357  1.0
  F  F22  1  0.127  0.895  0.959  1.0
  F  F23  1  0.873  0.105  0.041  1.0
  F  F24  1  0.768  0.895  0.459  1.0
  F  F25  1  0.478  0.000  0.250  1.0
  F  F26  1  0.232  0.105  0.541  1.0
  F  F27  1  0.522  0.000  0.750  1.0
[/CIF]
.