The material described by SmTaO4 crystallizes in the monoclinic P2_1/c space group. Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), three equivalent O(3), and three equivalent O(4) atoms. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sm(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1) and two equivalent Ta(1) atoms. 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 to three equivalent Sm(1) and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OSm3Ta tetrahedra. is represented by the CIF file [CIF]
data_SmTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.420
_cell_length_b   7.576
_cell_length_c   7.654
_cell_angle_alpha   80.799
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.240
_cell_formula_units_Z   4
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  0.278  0.648  0.604  1.0
  Sm  Sm1  1  0.222  0.648  0.104  1.0
  Sm  Sm2  1  0.778  0.352  0.896  1.0
  Sm  Sm3  1  0.722  0.352  0.396  1.0
  Ta  Ta4  1  0.770  0.835  0.809  1.0
  Ta  Ta5  1  0.730  0.835  0.309  1.0
  Ta  Ta6  1  0.270  0.165  0.691  1.0
  Ta  Ta7  1  0.230  0.165  0.191  1.0
  O  O8  1  0.095  0.938  0.696  1.0
  O  O9  1  0.405  0.938  0.196  1.0
  O  O10  1  0.640  0.833  0.559  1.0
  O  O11  1  0.860  0.833  0.059  1.0
  O  O12  1  0.506  0.670  0.874  1.0
  O  O13  1  0.988  0.615  0.830  1.0
  O  O14  1  0.994  0.670  0.374  1.0
  O  O15  1  0.512  0.615  0.330  1.0
  O  O16  1  0.488  0.385  0.670  1.0
  O  O17  1  0.006  0.330  0.626  1.0
  O  O18  1  0.012  0.385  0.170  1.0
  O  O19  1  0.494  0.330  0.126  1.0
  O  O20  1  0.140  0.167  0.941  1.0
  O  O21  1  0.360  0.167  0.441  1.0
  O  O22  1  0.595  0.062  0.804  1.0
  O  O23  1  0.905  0.062  0.304  1.0
[/CIF]
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The material described by SmTaO4 crystallizes in the monoclinic P2_1/c space group. Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), three equivalent O(3), and three equivalent O(4) atoms. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sm(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1) and two equivalent Ta(1) atoms. 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 to three equivalent Sm(1) and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OSm3Ta tetrahedra. is represented by the CIF file [CIF]
data_SmTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.420
_cell_length_b   7.576
_cell_length_c   7.654
_cell_angle_alpha   80.799
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.240
_cell_formula_units_Z   4
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  0.278  0.648  0.604  1.0
  Sm  Sm1  1  0.222  0.648  0.104  1.0
  Sm  Sm2  1  0.778  0.352  0.896  1.0
  Sm  Sm3  1  0.722  0.352  0.396  1.0
  Ta  Ta4  1  0.770  0.835  0.809  1.0
  Ta  Ta5  1  0.730  0.835  0.309  1.0
  Ta  Ta6  1  0.270  0.165  0.691  1.0
  Ta  Ta7  1  0.230  0.165  0.191  1.0
  O  O8  1  0.095  0.938  0.696  1.0
  O  O9  1  0.405  0.938  0.196  1.0
  O  O10  1  0.640  0.833  0.559  1.0
  O  O11  1  0.860  0.833  0.059  1.0
  O  O12  1  0.506  0.670  0.874  1.0
  O  O13  1  0.988  0.615  0.830  1.0
  O  O14  1  0.994  0.670  0.374  1.0
  O  O15  1  0.512  0.615  0.330  1.0
  O  O16  1  0.488  0.385  0.670  1.0
  O  O17  1  0.006  0.330  0.626  1.0
  O  O18  1  0.012  0.385  0.170  1.0
  O  O19  1  0.494  0.330  0.126  1.0
  O  O20  1  0.140  0.167  0.941  1.0
  O  O21  1  0.360  0.167  0.441  1.0
  O  O22  1  0.595  0.062  0.804  1.0
  O  O23  1  0.905  0.062  0.304  1.0
[/CIF]
.