The material described by Tm3V is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 4-coordinate geometry to four equivalent Tm(2) and four equivalent V(1) atoms. In the second Tm site, Tm(2) is bonded in a 14-coordinate geometry to eight equivalent Tm(1) and six equivalent V(1) atoms. V(1) is bonded in a distorted body-centered cubic geometry to six equivalent Tm(2) and eight equivalent Tm(1) atoms. is represented by the CIF card [CIF]
data_Tm3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.282
_cell_length_b   5.282
_cell_length_c   5.282
_cell_angle_alpha   119.968
_cell_angle_beta   119.968
_cell_angle_gamma   90.055
_symmetry_Int_Tables_number   1
_cell_volume   104.251
_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
  Tm  Tm0  1  0.750  0.250  0.500  1.0
  Tm  Tm1  1  0.250  0.750  0.500  1.0
  Tm  Tm2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Tm3V is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 4-coordinate geometry to four equivalent Tm(2) and four equivalent V(1) atoms. In the second Tm site, Tm(2) is bonded in a 14-coordinate geometry to eight equivalent Tm(1) and six equivalent V(1) atoms. V(1) is bonded in a distorted body-centered cubic geometry to six equivalent Tm(2) and eight equivalent Tm(1) atoms. is represented by the CIF card [CIF]
data_Tm3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.282
_cell_length_b   5.282
_cell_length_c   5.282
_cell_angle_alpha   119.968
_cell_angle_beta   119.968
_cell_angle_gamma   90.055
_symmetry_Int_Tables_number   1
_cell_volume   104.251
_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
  Tm  Tm0  1  0.750  0.250  0.500  1.0
  Tm  Tm1  1  0.250  0.750  0.500  1.0
  Tm  Tm2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.000  0.000  0.000  1.0
[/CIF]
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