The crystal structure described by La4Cu3TeO12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. La(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form LaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, faces with two equivalent Te(1)O6 octahedra, and faces with six equivalent Cu(1)O6 octahedra. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Te(1) is bonded to six equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) and two equivalent Cu(1) atoms to form distorted OLa4Cu2 octahedra that share corners with eight equivalent O(2)La4CuTe octahedra, corners with fourteen equivalent O(1)La4Cu2 octahedra, edges with four equivalent O(2)La4CuTe octahedra, faces with four equivalent O(1)La4Cu2 octahedra, and faces with four equivalent O(2)La4CuTe octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent La(1), one Cu(1), and one Te(1) atom to form distorted OLa4CuTe octahedra that share corners with eight equivalent O(1)La4Cu2 octahedra, corners with fourteen equivalent O(2)La4CuTe octahedra, edges with four equivalent O(1)La4Cu2 octahedra, faces with four equivalent O(1)La4Cu2 octahedra, and faces with four equivalent O(2)La4CuTe octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4Cu3TeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.887
_cell_length_b   6.887
_cell_length_c   6.887
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   251.496
_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  0.000  0.500  0.000  1.0
  La  La1  1  0.500  0.000  0.000  1.0
  La  La2  1  0.000  0.000  0.500  1.0
  La  La3  1  0.500  0.500  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.500  0.000  1.0
  Te  Te7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.250  0.750  0.500  1.0
  O  O9  1  0.758  0.000  0.758  1.0
  O  O10  1  0.000  0.758  0.758  1.0
  O  O11  1  0.000  0.242  0.242  1.0
  O  O12  1  0.242  0.242  0.000  1.0
  O  O13  1  0.242  0.000  0.242  1.0
  O  O14  1  0.758  0.758  0.000  1.0
  O  O15  1  0.750  0.250  0.500  1.0
  O  O16  1  0.500  0.250  0.750  1.0
  O  O17  1  0.500  0.750  0.250  1.0
  O  O18  1  0.250  0.500  0.750  1.0
  O  O19  1  0.750  0.500  0.250  1.0
[/CIF]
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The crystal structure described by La4Cu3TeO12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. La(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form LaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, faces with two equivalent Te(1)O6 octahedra, and faces with six equivalent Cu(1)O6 octahedra. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Te(1) is bonded to six equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) and two equivalent Cu(1) atoms to form distorted OLa4Cu2 octahedra that share corners with eight equivalent O(2)La4CuTe octahedra, corners with fourteen equivalent O(1)La4Cu2 octahedra, edges with four equivalent O(2)La4CuTe octahedra, faces with four equivalent O(1)La4Cu2 octahedra, and faces with four equivalent O(2)La4CuTe octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent La(1), one Cu(1), and one Te(1) atom to form distorted OLa4CuTe octahedra that share corners with eight equivalent O(1)La4Cu2 octahedra, corners with fourteen equivalent O(2)La4CuTe octahedra, edges with four equivalent O(1)La4Cu2 octahedra, faces with four equivalent O(1)La4Cu2 octahedra, and faces with four equivalent O(2)La4CuTe octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4Cu3TeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.887
_cell_length_b   6.887
_cell_length_c   6.887
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   251.496
_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  0.000  0.500  0.000  1.0
  La  La1  1  0.500  0.000  0.000  1.0
  La  La2  1  0.000  0.000  0.500  1.0
  La  La3  1  0.500  0.500  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.500  0.000  1.0
  Te  Te7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.250  0.750  0.500  1.0
  O  O9  1  0.758  0.000  0.758  1.0
  O  O10  1  0.000  0.758  0.758  1.0
  O  O11  1  0.000  0.242  0.242  1.0
  O  O12  1  0.242  0.242  0.000  1.0
  O  O13  1  0.242  0.000  0.242  1.0
  O  O14  1  0.758  0.758  0.000  1.0
  O  O15  1  0.750  0.250  0.500  1.0
  O  O16  1  0.500  0.250  0.750  1.0
  O  O17  1  0.500  0.750  0.250  1.0
  O  O18  1  0.250  0.500  0.750  1.0
  O  O19  1  0.750  0.500  0.250  1.0
[/CIF]
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