The compound described by Tm3Sb5O12 crystallizes in the cubic I-43m space group. Tm(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Tm(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Tm(1) and one Sb(2) atom. is represented by the CIF file [CIF]
data_Tm3Sb5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.224
_cell_length_b   9.223
_cell_length_c   9.223
_cell_angle_alpha   109.470
_cell_angle_beta   109.472
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   604.037
_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
  Tm  Tm0  1  0.750  0.250  0.500  1.0
  Tm  Tm1  1  0.750  0.500  0.250  1.0
  Tm  Tm2  1  0.500  0.250  0.750  1.0
  Tm  Tm3  1  0.500  0.750  0.250  1.0
  Tm  Tm4  1  0.250  0.750  0.500  1.0
  Tm  Tm5  1  0.250  0.500  0.750  1.0
  Sb  Sb6  1  0.520  1.000  0.000  1.0
  Sb  Sb7  1  0.282  0.000  0.282  1.0
  Sb  Sb8  1  0.282  0.282  0.000  1.0
  Sb  Sb9  1  0.718  0.000  0.718  1.0
  Sb  Sb10  1  0.718  0.718  0.000  1.0
  Sb  Sb11  1  0.000  0.520  0.000  1.0
  Sb  Sb12  1  1.000  0.000  0.520  1.0
  Sb  Sb13  1  0.481  0.481  0.481  1.0
  Sb  Sb14  1  1.000  0.282  0.282  1.0
  Sb  Sb15  1  0.000  0.718  0.718  1.0
  O  O16  1  0.480  1.000  0.202  1.0
  O  O17  1  0.480  0.202  1.000  1.0
  O  O18  1  0.703  0.500  1.000  1.0
  O  O19  1  0.703  0.000  0.500  1.0
  O  O20  1  0.797  0.297  0.297  1.0
  O  O21  1  0.500  0.500  0.203  1.0
  O  O22  1  0.500  0.203  0.500  1.0
  O  O23  1  0.500  0.703  1.000  1.0
  O  O24  1  0.500  1.000  0.703  1.0
  O  O25  1  0.721  0.520  0.520  1.0
  O  O26  1  0.798  0.279  0.798  1.0
  O  O27  1  0.798  0.798  0.279  1.0
  O  O28  1  0.202  0.480  1.000  1.0
  O  O29  1  0.202  1.000  0.480  1.0
  O  O30  1  0.520  0.721  0.520  1.0
  O  O31  1  0.520  0.520  0.721  1.0
  O  O32  1  1.000  0.480  0.202  1.0
  O  O33  1  1.000  0.202  0.480  1.0
  O  O34  1  0.297  0.797  0.297  1.0
  O  O35  1  0.297  0.297  0.797  1.0
  O  O36  1  0.203  0.500  0.500  1.0
  O  O37  1  1.000  0.703  0.500  1.0
  O  O38  1  0.000  0.500  0.703  1.0
  O  O39  1  0.279  0.798  0.798  1.0
[/CIF]
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The compound described by Tm3Sb5O12 crystallizes in the cubic I-43m space group. Tm(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Tm(1), one Sb(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Tm(1) and one Sb(2) atom. is represented by the CIF file [CIF]
data_Tm3Sb5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.224
_cell_length_b   9.223
_cell_length_c   9.223
_cell_angle_alpha   109.470
_cell_angle_beta   109.472
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   604.037
_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
  Tm  Tm0  1  0.750  0.250  0.500  1.0
  Tm  Tm1  1  0.750  0.500  0.250  1.0
  Tm  Tm2  1  0.500  0.250  0.750  1.0
  Tm  Tm3  1  0.500  0.750  0.250  1.0
  Tm  Tm4  1  0.250  0.750  0.500  1.0
  Tm  Tm5  1  0.250  0.500  0.750  1.0
  Sb  Sb6  1  0.520  1.000  0.000  1.0
  Sb  Sb7  1  0.282  0.000  0.282  1.0
  Sb  Sb8  1  0.282  0.282  0.000  1.0
  Sb  Sb9  1  0.718  0.000  0.718  1.0
  Sb  Sb10  1  0.718  0.718  0.000  1.0
  Sb  Sb11  1  0.000  0.520  0.000  1.0
  Sb  Sb12  1  1.000  0.000  0.520  1.0
  Sb  Sb13  1  0.481  0.481  0.481  1.0
  Sb  Sb14  1  1.000  0.282  0.282  1.0
  Sb  Sb15  1  0.000  0.718  0.718  1.0
  O  O16  1  0.480  1.000  0.202  1.0
  O  O17  1  0.480  0.202  1.000  1.0
  O  O18  1  0.703  0.500  1.000  1.0
  O  O19  1  0.703  0.000  0.500  1.0
  O  O20  1  0.797  0.297  0.297  1.0
  O  O21  1  0.500  0.500  0.203  1.0
  O  O22  1  0.500  0.203  0.500  1.0
  O  O23  1  0.500  0.703  1.000  1.0
  O  O24  1  0.500  1.000  0.703  1.0
  O  O25  1  0.721  0.520  0.520  1.0
  O  O26  1  0.798  0.279  0.798  1.0
  O  O27  1  0.798  0.798  0.279  1.0
  O  O28  1  0.202  0.480  1.000  1.0
  O  O29  1  0.202  1.000  0.480  1.0
  O  O30  1  0.520  0.721  0.520  1.0
  O  O31  1  0.520  0.520  0.721  1.0
  O  O32  1  1.000  0.480  0.202  1.0
  O  O33  1  1.000  0.202  0.480  1.0
  O  O34  1  0.297  0.797  0.297  1.0
  O  O35  1  0.297  0.297  0.797  1.0
  O  O36  1  0.203  0.500  0.500  1.0
  O  O37  1  1.000  0.703  0.500  1.0
  O  O38  1  0.000  0.500  0.703  1.0
  O  O39  1  0.279  0.798  0.798  1.0
[/CIF]
.