The compound described by Tb3La(Mo2O7)2 crystallizes in the trigonal R-3m space group. Tb(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. La(1) is bonded to two equivalent O(3) and six equivalent O(1) atoms to form LaO8 hexagonal bipyramids that share edges with six equivalent Mo(2)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to six equivalent O(2) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Mo site, Mo(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and edges with two equivalent La(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 50-55°. There are three inequivalent O sites. In the first O site, O(3) is bonded to three equivalent Tb(1) and one La(1) atom to form OLaTb3 tetrahedra that share corners with four equivalent O(3)LaTb3 tetrahedra, corners with six equivalent O(1)LaTbMo2 tetrahedra, corners with six equivalent O(2)Tb2Mo2 tetrahedra, edges with three equivalent O(1)LaTbMo2 tetrahedra, and edges with three equivalent O(2)Tb2Mo2 tetrahedra. In the second O site, O(1) is bonded to one Tb(1), one La(1), and two equivalent Mo(2) atoms to form distorted OLaTbMo2 tetrahedra that share corners with two equivalent O(3)LaTb3 tetrahedra, corners with four equivalent O(2)Tb2Mo2 tetrahedra, corners with eight equivalent O(1)LaTbMo2 tetrahedra,  an edgeedge with one O(3)LaTb3 tetrahedra, edges with two equivalent O(1)LaTbMo2 tetrahedra, and edges with two equivalent O(2)Tb2Mo2 tetrahedra. In the third O site, O(2) is bonded to two equivalent Tb(1), one Mo(1), and one Mo(2) atom to form OTb2Mo2 tetrahedra that share corners with two equivalent O(3)LaTb3 tetrahedra, corners with four equivalent O(1)LaTbMo2 tetrahedra, corners with eight equivalent O(2)Tb2Mo2 tetrahedra,  an edgeedge with one O(3)LaTb3 tetrahedra, edges with two equivalent O(1)LaTbMo2 tetrahedra, and edges with two equivalent O(2)Tb2Mo2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaTb3(Mo2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.397
_cell_length_b   7.397
_cell_length_c   7.397
_cell_angle_alpha   60.907
_cell_angle_beta   60.907
_cell_angle_gamma   60.907
_symmetry_Int_Tables_number   1
_cell_volume   292.020
_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
  La  La0  1  0.500  0.500  0.500  1.0
  Tb  Tb1  1  0.000  0.500  0.500  1.0
  Tb  Tb2  1  0.500  0.500  0.000  1.0
  Tb  Tb3  1  0.500  0.000  0.500  1.0
  Mo  Mo4  1  0.000  0.000  0.000  1.0
  Mo  Mo5  1  0.500  0.000  0.000  1.0
  Mo  Mo6  1  0.000  0.000  0.500  1.0
  Mo  Mo7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.916  0.332  0.332  1.0
  O  O9  1  0.347  0.909  0.909  1.0
  O  O10  1  0.332  0.332  0.916  1.0
  O  O11  1  0.909  0.909  0.347  1.0
  O  O12  1  0.909  0.347  0.909  1.0
  O  O13  1  0.332  0.916  0.332  1.0
  O  O14  1  0.084  0.668  0.668  1.0
  O  O15  1  0.653  0.091  0.091  1.0
  O  O16  1  0.668  0.668  0.084  1.0
  O  O17  1  0.091  0.091  0.653  1.0
  O  O18  1  0.091  0.653  0.091  1.0
  O  O19  1  0.668  0.084  0.668  1.0
  O  O20  1  0.371  0.371  0.371  1.0
  O  O21  1  0.629  0.629  0.629  1.0
[/CIF]
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The compound described by Tb3La(Mo2O7)2 crystallizes in the trigonal R-3m space group. Tb(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. La(1) is bonded to two equivalent O(3) and six equivalent O(1) atoms to form LaO8 hexagonal bipyramids that share edges with six equivalent Mo(2)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to six equivalent O(2) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Mo site, Mo(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and edges with two equivalent La(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 50-55°. There are three inequivalent O sites. In the first O site, O(3) is bonded to three equivalent Tb(1) and one La(1) atom to form OLaTb3 tetrahedra that share corners with four equivalent O(3)LaTb3 tetrahedra, corners with six equivalent O(1)LaTbMo2 tetrahedra, corners with six equivalent O(2)Tb2Mo2 tetrahedra, edges with three equivalent O(1)LaTbMo2 tetrahedra, and edges with three equivalent O(2)Tb2Mo2 tetrahedra. In the second O site, O(1) is bonded to one Tb(1), one La(1), and two equivalent Mo(2) atoms to form distorted OLaTbMo2 tetrahedra that share corners with two equivalent O(3)LaTb3 tetrahedra, corners with four equivalent O(2)Tb2Mo2 tetrahedra, corners with eight equivalent O(1)LaTbMo2 tetrahedra,  an edgeedge with one O(3)LaTb3 tetrahedra, edges with two equivalent O(1)LaTbMo2 tetrahedra, and edges with two equivalent O(2)Tb2Mo2 tetrahedra. In the third O site, O(2) is bonded to two equivalent Tb(1), one Mo(1), and one Mo(2) atom to form OTb2Mo2 tetrahedra that share corners with two equivalent O(3)LaTb3 tetrahedra, corners with four equivalent O(1)LaTbMo2 tetrahedra, corners with eight equivalent O(2)Tb2Mo2 tetrahedra,  an edgeedge with one O(3)LaTb3 tetrahedra, edges with two equivalent O(1)LaTbMo2 tetrahedra, and edges with two equivalent O(2)Tb2Mo2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaTb3(Mo2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.397
_cell_length_b   7.397
_cell_length_c   7.397
_cell_angle_alpha   60.907
_cell_angle_beta   60.907
_cell_angle_gamma   60.907
_symmetry_Int_Tables_number   1
_cell_volume   292.020
_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
  La  La0  1  0.500  0.500  0.500  1.0
  Tb  Tb1  1  0.000  0.500  0.500  1.0
  Tb  Tb2  1  0.500  0.500  0.000  1.0
  Tb  Tb3  1  0.500  0.000  0.500  1.0
  Mo  Mo4  1  0.000  0.000  0.000  1.0
  Mo  Mo5  1  0.500  0.000  0.000  1.0
  Mo  Mo6  1  0.000  0.000  0.500  1.0
  Mo  Mo7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.916  0.332  0.332  1.0
  O  O9  1  0.347  0.909  0.909  1.0
  O  O10  1  0.332  0.332  0.916  1.0
  O  O11  1  0.909  0.909  0.347  1.0
  O  O12  1  0.909  0.347  0.909  1.0
  O  O13  1  0.332  0.916  0.332  1.0
  O  O14  1  0.084  0.668  0.668  1.0
  O  O15  1  0.653  0.091  0.091  1.0
  O  O16  1  0.668  0.668  0.084  1.0
  O  O17  1  0.091  0.091  0.653  1.0
  O  O18  1  0.091  0.653  0.091  1.0
  O  O19  1  0.668  0.084  0.668  1.0
  O  O20  1  0.371  0.371  0.371  1.0
  O  O21  1  0.629  0.629  0.629  1.0
[/CIF]
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