The compound described by Sm3Ti4CoO14 crystallizes in the trigonal R-3m space group. Sm(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms to form SmO8 hexagonal bipyramids that share edges with four equivalent Sm(1)O8 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(2)O6 octahedra and edges with six equivalent Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, and edges with four equivalent Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-50°. Co(1) is bonded in a distorted linear geometry to two equivalent O(3) and six equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded to three equivalent Sm(1) and one Co(1) atom to form OSm3Co tetrahedra that share corners with four equivalent O(3)Sm3Co tetrahedra, corners with six equivalent O(2)Sm2Ti2 tetrahedra, and edges with three equivalent O(2)Sm2Ti2 tetrahedra. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Ti(2), and one Co(1) atom. In the third O site, O(2) is bonded to two equivalent Sm(1), one Ti(1), and one Ti(2) atom to form distorted OSm2Ti2 tetrahedra that share corners with two equivalent O(3)Sm3Co tetrahedra, corners with eight equivalent O(2)Sm2Ti2 tetrahedra,  an edgeedge with one O(3)Sm3Co tetrahedra, and edges with two equivalent O(2)Sm2Ti2 tetrahedra. is represented by the CIF card [CIF]
data_Sm3Ti4CoO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.143
_cell_length_b   7.143
_cell_length_c   7.143
_cell_angle_alpha   61.563
_cell_angle_beta   61.563
_cell_angle_gamma   61.563
_symmetry_Int_Tables_number   1
_cell_volume   266.752
_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
  Sm  Sm0  1  0.000  0.500  0.500  1.0
  Sm  Sm1  1  0.500  0.500  0.000  1.0
  Sm  Sm2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  Ti  Ti4  1  0.500  0.000  0.000  1.0
  Ti  Ti5  1  0.000  0.000  0.500  1.0
  Ti  Ti6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.932  0.322  0.322  1.0
  O  O9  1  0.328  0.919  0.919  1.0
  O  O10  1  0.322  0.322  0.932  1.0
  O  O11  1  0.919  0.919  0.328  1.0
  O  O12  1  0.919  0.328  0.919  1.0
  O  O13  1  0.322  0.932  0.322  1.0
  O  O14  1  0.068  0.678  0.678  1.0
  O  O15  1  0.672  0.081  0.081  1.0
  O  O16  1  0.678  0.678  0.068  1.0
  O  O17  1  0.081  0.081  0.672  1.0
  O  O18  1  0.081  0.672  0.081  1.0
  O  O19  1  0.678  0.068  0.678  1.0
  O  O20  1  0.389  0.389  0.389  1.0
  O  O21  1  0.611  0.611  0.611  1.0
[/CIF]
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The compound described by Sm3Ti4CoO14 crystallizes in the trigonal R-3m space group. Sm(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms to form SmO8 hexagonal bipyramids that share edges with four equivalent Sm(1)O8 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to six equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(2)O6 octahedra and edges with six equivalent Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, and edges with four equivalent Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-50°. Co(1) is bonded in a distorted linear geometry to two equivalent O(3) and six equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded to three equivalent Sm(1) and one Co(1) atom to form OSm3Co tetrahedra that share corners with four equivalent O(3)Sm3Co tetrahedra, corners with six equivalent O(2)Sm2Ti2 tetrahedra, and edges with three equivalent O(2)Sm2Ti2 tetrahedra. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Ti(2), and one Co(1) atom. In the third O site, O(2) is bonded to two equivalent Sm(1), one Ti(1), and one Ti(2) atom to form distorted OSm2Ti2 tetrahedra that share corners with two equivalent O(3)Sm3Co tetrahedra, corners with eight equivalent O(2)Sm2Ti2 tetrahedra,  an edgeedge with one O(3)Sm3Co tetrahedra, and edges with two equivalent O(2)Sm2Ti2 tetrahedra. is represented by the CIF card [CIF]
data_Sm3Ti4CoO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.143
_cell_length_b   7.143
_cell_length_c   7.143
_cell_angle_alpha   61.563
_cell_angle_beta   61.563
_cell_angle_gamma   61.563
_symmetry_Int_Tables_number   1
_cell_volume   266.752
_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
  Sm  Sm0  1  0.000  0.500  0.500  1.0
  Sm  Sm1  1  0.500  0.500  0.000  1.0
  Sm  Sm2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.000  0.000  1.0
  Ti  Ti4  1  0.500  0.000  0.000  1.0
  Ti  Ti5  1  0.000  0.000  0.500  1.0
  Ti  Ti6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.932  0.322  0.322  1.0
  O  O9  1  0.328  0.919  0.919  1.0
  O  O10  1  0.322  0.322  0.932  1.0
  O  O11  1  0.919  0.919  0.328  1.0
  O  O12  1  0.919  0.328  0.919  1.0
  O  O13  1  0.322  0.932  0.322  1.0
  O  O14  1  0.068  0.678  0.678  1.0
  O  O15  1  0.672  0.081  0.081  1.0
  O  O16  1  0.678  0.678  0.068  1.0
  O  O17  1  0.081  0.081  0.672  1.0
  O  O18  1  0.081  0.672  0.081  1.0
  O  O19  1  0.678  0.068  0.678  1.0
  O  O20  1  0.389  0.389  0.389  1.0
  O  O21  1  0.611  0.611  0.611  1.0
[/CIF]
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