The structure described by Tb4F15 crystallizes in the trigonal R-3c space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in an octahedral geometry to six equivalent F(3) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Tb(2) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Tb(2) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Tb(1) and one Tb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb4F15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.607
_cell_length_b   8.607
_cell_length_c   8.607
_cell_angle_alpha   98.926
_cell_angle_beta   98.926
_cell_angle_gamma   98.926
_symmetry_Int_Tables_number   1
_cell_volume   611.748
_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
  Tb  Tb0  1  0.250  0.250  0.250  1.0
  Tb  Tb1  1  0.183  0.750  0.317  1.0
  Tb  Tb2  1  0.250  0.683  0.817  1.0
  Tb  Tb3  1  0.683  0.817  0.250  1.0
  Tb  Tb4  1  0.750  0.750  0.750  1.0
  Tb  Tb5  1  0.317  0.183  0.750  1.0
  Tb  Tb6  1  0.750  0.317  0.183  1.0
  Tb  Tb7  1  0.817  0.250  0.683  1.0
  F  F8  1  0.962  0.538  0.250  1.0
  F  F9  1  0.816  0.343  0.453  1.0
  F  F10  1  0.487  0.728  0.727  1.0
  F  F11  1  0.343  0.453  0.816  1.0
  F  F12  1  0.013  0.773  0.772  1.0
  F  F13  1  0.750  0.038  0.462  1.0
  F  F14  1  0.953  0.843  0.316  1.0
  F  F15  1  0.227  0.228  0.987  1.0
  F  F16  1  0.772  0.013  0.773  1.0
  F  F17  1  0.316  0.953  0.843  1.0
  F  F18  1  0.272  0.273  0.513  1.0
  F  F19  1  0.453  0.816  0.343  1.0
  F  F20  1  0.538  0.250  0.962  1.0
  F  F21  1  0.273  0.513  0.272  1.0
  F  F22  1  0.157  0.684  0.047  1.0
  F  F23  1  0.843  0.316  0.953  1.0
  F  F24  1  0.727  0.487  0.728  1.0
  F  F25  1  0.462  0.750  0.038  1.0
  F  F26  1  0.547  0.184  0.657  1.0
  F  F27  1  0.728  0.727  0.487  1.0
  F  F28  1  0.684  0.047  0.157  1.0
  F  F29  1  0.228  0.987  0.227  1.0
  F  F30  1  0.773  0.772  0.013  1.0
  F  F31  1  0.047  0.157  0.684  1.0
  F  F32  1  0.250  0.962  0.538  1.0
  F  F33  1  0.987  0.227  0.228  1.0
  F  F34  1  0.657  0.547  0.184  1.0
  F  F35  1  0.513  0.272  0.273  1.0
  F  F36  1  0.184  0.657  0.547  1.0
  F  F37  1  0.038  0.462  0.750  1.0
[/CIF]
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The structure described by Tb4F15 crystallizes in the trigonal R-3c space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in an octahedral geometry to six equivalent F(3) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Tb(2) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Tb(2) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Tb(1) and one Tb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb4F15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.607
_cell_length_b   8.607
_cell_length_c   8.607
_cell_angle_alpha   98.926
_cell_angle_beta   98.926
_cell_angle_gamma   98.926
_symmetry_Int_Tables_number   1
_cell_volume   611.748
_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
  Tb  Tb0  1  0.250  0.250  0.250  1.0
  Tb  Tb1  1  0.183  0.750  0.317  1.0
  Tb  Tb2  1  0.250  0.683  0.817  1.0
  Tb  Tb3  1  0.683  0.817  0.250  1.0
  Tb  Tb4  1  0.750  0.750  0.750  1.0
  Tb  Tb5  1  0.317  0.183  0.750  1.0
  Tb  Tb6  1  0.750  0.317  0.183  1.0
  Tb  Tb7  1  0.817  0.250  0.683  1.0
  F  F8  1  0.962  0.538  0.250  1.0
  F  F9  1  0.816  0.343  0.453  1.0
  F  F10  1  0.487  0.728  0.727  1.0
  F  F11  1  0.343  0.453  0.816  1.0
  F  F12  1  0.013  0.773  0.772  1.0
  F  F13  1  0.750  0.038  0.462  1.0
  F  F14  1  0.953  0.843  0.316  1.0
  F  F15  1  0.227  0.228  0.987  1.0
  F  F16  1  0.772  0.013  0.773  1.0
  F  F17  1  0.316  0.953  0.843  1.0
  F  F18  1  0.272  0.273  0.513  1.0
  F  F19  1  0.453  0.816  0.343  1.0
  F  F20  1  0.538  0.250  0.962  1.0
  F  F21  1  0.273  0.513  0.272  1.0
  F  F22  1  0.157  0.684  0.047  1.0
  F  F23  1  0.843  0.316  0.953  1.0
  F  F24  1  0.727  0.487  0.728  1.0
  F  F25  1  0.462  0.750  0.038  1.0
  F  F26  1  0.547  0.184  0.657  1.0
  F  F27  1  0.728  0.727  0.487  1.0
  F  F28  1  0.684  0.047  0.157  1.0
  F  F29  1  0.228  0.987  0.227  1.0
  F  F30  1  0.773  0.772  0.013  1.0
  F  F31  1  0.047  0.157  0.684  1.0
  F  F32  1  0.250  0.962  0.538  1.0
  F  F33  1  0.987  0.227  0.228  1.0
  F  F34  1  0.657  0.547  0.184  1.0
  F  F35  1  0.513  0.272  0.273  1.0
  F  F36  1  0.184  0.657  0.547  1.0
  F  F37  1  0.038  0.462  0.750  1.0
[/CIF]
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