The material described by Sm2V2O7 crystallizes in the cubic Fd-3m space group. Sm(1) is bonded to two equivalent O(2) and six equivalent O(1) atoms to form distorted SmO8 hexagonal bipyramids that share edges with six equivalent Sm(1)O8 hexagonal bipyramids and edges with six equivalent V(1)O6 octahedra. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra and edges with six equivalent Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent V(1) atoms to form distorted OSm2V2 tetrahedra that share corners with two equivalent O(2)Sm4 tetrahedra, corners with twelve equivalent O(1)Sm2V2 tetrahedra,  an edgeedge with one O(2)Sm4 tetrahedra, and edges with four equivalent O(1)Sm2V2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with four equivalent O(2)Sm4 tetrahedra, corners with twelve equivalent O(1)Sm2V2 tetrahedra, and edges with six equivalent O(1)Sm2V2 tetrahedra. is represented by the CIF card [CIF]
data_Sm2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.250
_cell_length_b   7.250
_cell_length_c   7.250
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   269.476
_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  0.125  0.125  0.125  1.0
  Sm  Sm1  1  0.625  0.125  0.125  1.0
  Sm  Sm2  1  0.125  0.625  0.125  1.0
  Sm  Sm3  1  0.125  0.125  0.625  1.0
  V  V4  1  0.625  0.625  0.125  1.0
  V  V5  1  0.625  0.625  0.625  1.0
  V  V6  1  0.625  0.125  0.625  1.0
  V  V7  1  0.125  0.625  0.625  1.0
  O  O8  1  0.703  0.703  0.297  1.0
  O  O9  1  0.953  0.547  0.547  1.0
  O  O10  1  0.953  0.547  0.953  1.0
  O  O11  1  0.250  0.250  0.250  1.0
  O  O12  1  0.547  0.953  0.547  1.0
  O  O13  1  0.953  0.953  0.547  1.0
  O  O14  1  0.703  0.297  0.297  1.0
  O  O15  1  0.547  0.953  0.953  1.0
  O  O16  1  0.297  0.703  0.297  1.0
  O  O17  1  0.000  0.000  0.000  1.0
  O  O18  1  0.703  0.297  0.703  1.0
  O  O19  1  0.297  0.297  0.703  1.0
  O  O20  1  0.297  0.703  0.703  1.0
  O  O21  1  0.547  0.547  0.953  1.0
[/CIF]
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The material described by Sm2V2O7 crystallizes in the cubic Fd-3m space group. Sm(1) is bonded to two equivalent O(2) and six equivalent O(1) atoms to form distorted SmO8 hexagonal bipyramids that share edges with six equivalent Sm(1)O8 hexagonal bipyramids and edges with six equivalent V(1)O6 octahedra. V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra and edges with six equivalent Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1) and two equivalent V(1) atoms to form distorted OSm2V2 tetrahedra that share corners with two equivalent O(2)Sm4 tetrahedra, corners with twelve equivalent O(1)Sm2V2 tetrahedra,  an edgeedge with one O(2)Sm4 tetrahedra, and edges with four equivalent O(1)Sm2V2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with four equivalent O(2)Sm4 tetrahedra, corners with twelve equivalent O(1)Sm2V2 tetrahedra, and edges with six equivalent O(1)Sm2V2 tetrahedra. is represented by the CIF card [CIF]
data_Sm2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.250
_cell_length_b   7.250
_cell_length_c   7.250
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   269.476
_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  0.125  0.125  0.125  1.0
  Sm  Sm1  1  0.625  0.125  0.125  1.0
  Sm  Sm2  1  0.125  0.625  0.125  1.0
  Sm  Sm3  1  0.125  0.125  0.625  1.0
  V  V4  1  0.625  0.625  0.125  1.0
  V  V5  1  0.625  0.625  0.625  1.0
  V  V6  1  0.625  0.125  0.625  1.0
  V  V7  1  0.125  0.625  0.625  1.0
  O  O8  1  0.703  0.703  0.297  1.0
  O  O9  1  0.953  0.547  0.547  1.0
  O  O10  1  0.953  0.547  0.953  1.0
  O  O11  1  0.250  0.250  0.250  1.0
  O  O12  1  0.547  0.953  0.547  1.0
  O  O13  1  0.953  0.953  0.547  1.0
  O  O14  1  0.703  0.297  0.297  1.0
  O  O15  1  0.547  0.953  0.953  1.0
  O  O16  1  0.297  0.703  0.297  1.0
  O  O17  1  0.000  0.000  0.000  1.0
  O  O18  1  0.703  0.297  0.703  1.0
  O  O19  1  0.297  0.297  0.703  1.0
  O  O20  1  0.297  0.703  0.703  1.0
  O  O21  1  0.547  0.547  0.953  1.0
[/CIF]
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