The material structure described by YbGd3F12 crystallizes in the monoclinic Pm space group. Yb(1) is bonded in a 9-coordinate geometry to one F(1), two equivalent F(2), two equivalent F(5), two equivalent F(6), and two equivalent F(8) atoms. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 9-coordinate geometry to one F(2), two equivalent F(1), two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms. In the second Gd site, Gd(2) is bonded in a 9-coordinate geometry to one F(3), two equivalent F(4), two equivalent F(6), two equivalent F(7), and two equivalent F(8) atoms. In the third Gd site, Gd(3) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(3), two equivalent F(5), two equivalent F(7), and two equivalent F(8) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Yb(1) and two equivalent Gd(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Yb(1) and one Gd(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Gd(2) and two equivalent Gd(3) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Gd(3) and two equivalent Gd(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Yb(1), one Gd(1), and one Gd(3) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Yb(1), one Gd(1), and one Gd(2) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one Gd(3) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Yb(1), one Gd(2), and one Gd(3) atom. is represented by the CIF file [CIF]
data_YbGd3F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.908
_cell_length_b   4.361
_cell_length_c   6.525
_cell_angle_alpha   89.568
_cell_angle_beta   90.003
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   196.611
_cell_formula_units_Z   1
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
  Yb  Yb0  1  0.000  0.932  0.131  1.0
  Gd  Gd1  1  1.000  0.576  0.626  1.0
  Gd  Gd2  1  0.500  0.063  0.872  1.0
  Gd  Gd3  1  0.500  0.434  0.369  1.0
  F  F4  1  1.000  0.083  0.480  1.0
  F  F5  1  1.000  0.412  0.977  1.0
  F  F6  1  0.500  0.919  0.521  1.0
  F  F7  1  0.500  0.578  0.020  1.0
  F  F8  1  0.188  0.620  0.330  1.0
  F  F9  1  0.813  0.879  0.839  1.0
  F  F10  1  0.688  0.385  0.667  1.0
  F  F11  1  0.309  0.117  0.166  1.0
  F  F12  1  0.312  0.385  0.667  1.0
  F  F13  1  0.691  0.117  0.166  1.0
  F  F14  1  0.812  0.620  0.330  1.0
  F  F15  1  0.187  0.879  0.839  1.0
[/CIF]
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The material structure described by YbGd3F12 crystallizes in the monoclinic Pm space group. Yb(1) is bonded in a 9-coordinate geometry to one F(1), two equivalent F(2), two equivalent F(5), two equivalent F(6), and two equivalent F(8) atoms. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 9-coordinate geometry to one F(2), two equivalent F(1), two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms. In the second Gd site, Gd(2) is bonded in a 9-coordinate geometry to one F(3), two equivalent F(4), two equivalent F(6), two equivalent F(7), and two equivalent F(8) atoms. In the third Gd site, Gd(3) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(3), two equivalent F(5), two equivalent F(7), and two equivalent F(8) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Yb(1) and two equivalent Gd(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Yb(1) and one Gd(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Gd(2) and two equivalent Gd(3) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Gd(3) and two equivalent Gd(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Yb(1), one Gd(1), and one Gd(3) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Yb(1), one Gd(1), and one Gd(2) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one Gd(3) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Yb(1), one Gd(2), and one Gd(3) atom. is represented by the CIF file [CIF]
data_YbGd3F12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.908
_cell_length_b   4.361
_cell_length_c   6.525
_cell_angle_alpha   89.568
_cell_angle_beta   90.003
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   196.611
_cell_formula_units_Z   1
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
  Yb  Yb0  1  0.000  0.932  0.131  1.0
  Gd  Gd1  1  1.000  0.576  0.626  1.0
  Gd  Gd2  1  0.500  0.063  0.872  1.0
  Gd  Gd3  1  0.500  0.434  0.369  1.0
  F  F4  1  1.000  0.083  0.480  1.0
  F  F5  1  1.000  0.412  0.977  1.0
  F  F6  1  0.500  0.919  0.521  1.0
  F  F7  1  0.500  0.578  0.020  1.0
  F  F8  1  0.188  0.620  0.330  1.0
  F  F9  1  0.813  0.879  0.839  1.0
  F  F10  1  0.688  0.385  0.667  1.0
  F  F11  1  0.309  0.117  0.166  1.0
  F  F12  1  0.312  0.385  0.667  1.0
  F  F13  1  0.691  0.117  0.166  1.0
  F  F14  1  0.812  0.620  0.330  1.0
  F  F15  1  0.187  0.879  0.839  1.0
[/CIF]
.