The material described by Tb5O9 crystallizes in the tetragonal I-4 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Tb site, Tb(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Tb(1) atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the second O site, O(2) is bonded to one Tb(2) and three equivalent Tb(1) atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the third O site, O(3) is bonded to one Tb(2) and three equivalent Tb(1) atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb5O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   6.631
_cell_length_c   6.631
_cell_angle_alpha   100.466
_cell_angle_beta   100.466
_cell_angle_gamma   129.547
_symmetry_Int_Tables_number   1
_cell_volume   203.422
_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
  Tb  Tb0  1  0.557  0.891  0.899  1.0
  Tb  Tb1  1  0.992  0.658  0.101  1.0
  Tb  Tb2  1  0.342  0.443  0.334  1.0
  Tb  Tb3  1  0.109  0.008  0.666  1.0
  Tb  Tb4  1  0.750  0.250  0.500  1.0
  O  O5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.909  0.309  0.215  1.0
  O  O7  1  0.691  0.906  0.600  1.0
  O  O8  1  0.306  0.091  0.400  1.0
  O  O9  1  0.231  0.414  0.645  1.0
  O  O10  1  0.769  0.586  0.355  1.0
  O  O11  1  0.414  0.769  0.183  1.0
  O  O12  1  0.094  0.694  0.785  1.0
  O  O13  1  0.586  0.231  0.817  1.0
[/CIF]
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The material described by Tb5O9 crystallizes in the tetragonal I-4 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), and three equivalent O(3) atoms. In the second Tb site, Tb(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Tb(1) atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the second O site, O(2) is bonded to one Tb(2) and three equivalent Tb(1) atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the third O site, O(3) is bonded to one Tb(2) and three equivalent Tb(1) atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb5O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.631
_cell_length_b   6.631
_cell_length_c   6.631
_cell_angle_alpha   100.466
_cell_angle_beta   100.466
_cell_angle_gamma   129.547
_symmetry_Int_Tables_number   1
_cell_volume   203.422
_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
  Tb  Tb0  1  0.557  0.891  0.899  1.0
  Tb  Tb1  1  0.992  0.658  0.101  1.0
  Tb  Tb2  1  0.342  0.443  0.334  1.0
  Tb  Tb3  1  0.109  0.008  0.666  1.0
  Tb  Tb4  1  0.750  0.250  0.500  1.0
  O  O5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.909  0.309  0.215  1.0
  O  O7  1  0.691  0.906  0.600  1.0
  O  O8  1  0.306  0.091  0.400  1.0
  O  O9  1  0.231  0.414  0.645  1.0
  O  O10  1  0.769  0.586  0.355  1.0
  O  O11  1  0.414  0.769  0.183  1.0
  O  O12  1  0.094  0.694  0.785  1.0
  O  O13  1  0.586  0.231  0.817  1.0
[/CIF]
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