The material structure described by SmTaO4 crystallizes in the orthorhombic Cmc2_1 space group. Sm(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), and three equivalent O(3) atoms. Ta(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 15-40°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Sm(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded to three equivalent Sm(1) and one Ta(1) atom to form corner-sharing OSm3Ta tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Sm(1) and one Ta(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.752
_cell_length_b   7.752
_cell_length_c   5.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   150.640
_symmetry_Int_Tables_number   1
_cell_volume   163.592
_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
  Sm  Sm0  1  0.817  0.183  0.867  1.0
  Sm  Sm1  1  0.183  0.817  0.367  1.0
  Ta  Ta2  1  0.585  0.415  0.809  1.0
  Ta  Ta3  1  0.415  0.585  0.309  1.0
  O  O4  1  0.907  0.093  0.267  1.0
  O  O5  1  0.701  0.299  0.596  1.0
  O  O6  1  0.665  0.335  0.082  1.0
  O  O7  1  0.529  0.471  0.463  1.0
  O  O8  1  0.471  0.529  0.963  1.0
  O  O9  1  0.335  0.665  0.582  1.0
  O  O10  1  0.299  0.701  0.096  1.0
  O  O11  1  0.093  0.907  0.767  1.0
[/CIF]
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The material structure described by SmTaO4 crystallizes in the orthorhombic Cmc2_1 space group. Sm(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), and three equivalent O(3) atoms. Ta(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 15-40°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Sm(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded to three equivalent Sm(1) and one Ta(1) atom to form corner-sharing OSm3Ta tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Sm(1) and one Ta(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.752
_cell_length_b   7.752
_cell_length_c   5.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   150.640
_symmetry_Int_Tables_number   1
_cell_volume   163.592
_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
  Sm  Sm0  1  0.817  0.183  0.867  1.0
  Sm  Sm1  1  0.183  0.817  0.367  1.0
  Ta  Ta2  1  0.585  0.415  0.809  1.0
  Ta  Ta3  1  0.415  0.585  0.309  1.0
  O  O4  1  0.907  0.093  0.267  1.0
  O  O5  1  0.701  0.299  0.596  1.0
  O  O6  1  0.665  0.335  0.082  1.0
  O  O7  1  0.529  0.471  0.463  1.0
  O  O8  1  0.471  0.529  0.963  1.0
  O  O9  1  0.335  0.665  0.582  1.0
  O  O10  1  0.299  0.701  0.096  1.0
  O  O11  1  0.093  0.907  0.767  1.0
[/CIF]
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