The structure described by CaSm2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Ca(1) is bonded to four equivalent O(1) atoms to form CaO4 tetrahedra that share corners with twelve equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. Sm(1) is bonded to six equivalent O(1) atoms to form SmO6 octahedra that share corners with six equivalent Ca(1)O4 tetrahedra and edges with six equivalent Sm(1)O6 octahedra. O(1) is bonded to one Ca(1) and three equivalent Sm(1) atoms to form a mixture of distorted corner and edge-sharing OCaSm3 trigonal pyramids. is represented by the CIF file [CIF]
data_CaSm2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.001
_cell_length_b   7.001
_cell_length_c   7.001
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   242.690
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.750  0.750  0.750  1.0
  Sm  Sm2  1  0.125  0.125  0.125  1.0
  Sm  Sm3  1  0.625  0.125  0.125  1.0
  Sm  Sm4  1  0.125  0.625  0.125  1.0
  Sm  Sm5  1  0.125  0.125  0.625  1.0
  O  O6  1  0.364  0.364  0.909  1.0
  O  O7  1  0.909  0.364  0.364  1.0
  O  O8  1  0.364  0.909  0.364  1.0
  O  O9  1  0.886  0.886  0.886  1.0
  O  O10  1  0.364  0.364  0.364  1.0
  O  O11  1  0.886  0.341  0.886  1.0
  O  O12  1  0.341  0.886  0.886  1.0
  O  O13  1  0.886  0.886  0.341  1.0
[/CIF]
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The structure described by CaSm2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Ca(1) is bonded to four equivalent O(1) atoms to form CaO4 tetrahedra that share corners with twelve equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. Sm(1) is bonded to six equivalent O(1) atoms to form SmO6 octahedra that share corners with six equivalent Ca(1)O4 tetrahedra and edges with six equivalent Sm(1)O6 octahedra. O(1) is bonded to one Ca(1) and three equivalent Sm(1) atoms to form a mixture of distorted corner and edge-sharing OCaSm3 trigonal pyramids. is represented by the CIF file [CIF]
data_CaSm2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.001
_cell_length_b   7.001
_cell_length_c   7.001
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   242.690
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Ca  Ca1  1  0.750  0.750  0.750  1.0
  Sm  Sm2  1  0.125  0.125  0.125  1.0
  Sm  Sm3  1  0.625  0.125  0.125  1.0
  Sm  Sm4  1  0.125  0.625  0.125  1.0
  Sm  Sm5  1  0.125  0.125  0.625  1.0
  O  O6  1  0.364  0.364  0.909  1.0
  O  O7  1  0.909  0.364  0.364  1.0
  O  O8  1  0.364  0.909  0.364  1.0
  O  O9  1  0.886  0.886  0.886  1.0
  O  O10  1  0.364  0.364  0.364  1.0
  O  O11  1  0.886  0.341  0.886  1.0
  O  O12  1  0.341  0.886  0.886  1.0
  O  O13  1  0.886  0.886  0.341  1.0
[/CIF]
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