The compound described by Sm3TaO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted SmO7 pentagonal bipyramids that share corners with two equivalent Ta(1)O6 octahedra, corners with three equivalent Sm(1)O7 pentagonal bipyramids, edges with two equivalent Ta(1)O6 octahedra, and edges with two equivalent Sm(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. In the second Sm site, Sm(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Sm(1)O7 pentagonal bipyramids, and edges with four equivalent Sm(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sm(2), two equivalent Sm(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Sm(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_Sm3TaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.559
_cell_length_b   6.559
_cell_length_c   7.588
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.134
_symmetry_Int_Tables_number   1
_cell_volume   304.494
_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  0.522  0.067  0.250  1.0
  Sm  Sm1  1  0.933  0.478  0.750  1.0
  Sm  Sm2  1  0.000  0.000  0.000  1.0
  Sm  Sm3  1  0.000  0.000  0.500  1.0
  Sm  Sm4  1  0.478  0.933  0.750  1.0
  Sm  Sm5  1  0.067  0.522  0.250  1.0
  Ta  Ta6  1  0.500  0.500  0.000  1.0
  Ta  Ta7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.892  0.155  0.250  1.0
  O  O9  1  0.845  0.108  0.750  1.0
  O  O10  1  0.816  0.562  0.036  1.0
  O  O11  1  0.816  0.562  0.464  1.0
  O  O12  1  0.438  0.184  0.964  1.0
  O  O13  1  0.438  0.184  0.536  1.0
  O  O14  1  0.575  0.575  0.750  1.0
  O  O15  1  0.425  0.425  0.250  1.0
  O  O16  1  0.562  0.816  0.036  1.0
  O  O17  1  0.184  0.438  0.536  1.0
  O  O18  1  0.184  0.438  0.964  1.0
  O  O19  1  0.562  0.816  0.464  1.0
  O  O20  1  0.108  0.845  0.750  1.0
  O  O21  1  0.155  0.892  0.250  1.0
[/CIF]
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The compound described by Sm3TaO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted SmO7 pentagonal bipyramids that share corners with two equivalent Ta(1)O6 octahedra, corners with three equivalent Sm(1)O7 pentagonal bipyramids, edges with two equivalent Ta(1)O6 octahedra, and edges with two equivalent Sm(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. In the second Sm site, Sm(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Sm(1)O7 pentagonal bipyramids, and edges with four equivalent Sm(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sm(2), two equivalent Sm(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Sm(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_Sm3TaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.559
_cell_length_b   6.559
_cell_length_c   7.588
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.134
_symmetry_Int_Tables_number   1
_cell_volume   304.494
_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  0.522  0.067  0.250  1.0
  Sm  Sm1  1  0.933  0.478  0.750  1.0
  Sm  Sm2  1  0.000  0.000  0.000  1.0
  Sm  Sm3  1  0.000  0.000  0.500  1.0
  Sm  Sm4  1  0.478  0.933  0.750  1.0
  Sm  Sm5  1  0.067  0.522  0.250  1.0
  Ta  Ta6  1  0.500  0.500  0.000  1.0
  Ta  Ta7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.892  0.155  0.250  1.0
  O  O9  1  0.845  0.108  0.750  1.0
  O  O10  1  0.816  0.562  0.036  1.0
  O  O11  1  0.816  0.562  0.464  1.0
  O  O12  1  0.438  0.184  0.964  1.0
  O  O13  1  0.438  0.184  0.536  1.0
  O  O14  1  0.575  0.575  0.750  1.0
  O  O15  1  0.425  0.425  0.250  1.0
  O  O16  1  0.562  0.816  0.036  1.0
  O  O17  1  0.184  0.438  0.536  1.0
  O  O18  1  0.184  0.438  0.964  1.0
  O  O19  1  0.562  0.816  0.464  1.0
  O  O20  1  0.108  0.845  0.750  1.0
  O  O21  1  0.155  0.892  0.250  1.0
[/CIF]
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