The material described by CaSmMnO6Sn crystallizes in the cubic F-43m space group. The structure consists of four 7440-31-5 atoms inside a CaSmMnO6 framework. In the CaSmMnO6 framework, Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with four equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Sm(1) is bonded to twelve equivalent O(1) atoms to form SmO12 cuboctahedra that share corners with twelve equivalent Sm(1)O12 cuboctahedra, faces with four equivalent Ca(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra and faces with four equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to one Ca(1), two equivalent Sm(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_CaSmMnSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.680
_cell_length_b   5.680
_cell_length_c   5.680
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   129.568
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.750  0.750  0.750  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Sn  Sn3  1  0.250  0.250  0.250  1.0
  O  O4  1  0.732  0.268  0.268  1.0
  O  O5  1  0.268  0.732  0.732  1.0
  O  O6  1  0.732  0.268  0.732  1.0
  O  O7  1  0.268  0.732  0.268  1.0
  O  O8  1  0.732  0.732  0.268  1.0
  O  O9  1  0.268  0.268  0.732  1.0
[/CIF]
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The material described by CaSmMnO6Sn crystallizes in the cubic F-43m space group. The structure consists of four 7440-31-5 atoms inside a CaSmMnO6 framework. In the CaSmMnO6 framework, Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with four equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Sm(1) is bonded to twelve equivalent O(1) atoms to form SmO12 cuboctahedra that share corners with twelve equivalent Sm(1)O12 cuboctahedra, faces with four equivalent Ca(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra and faces with four equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to one Ca(1), two equivalent Sm(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_CaSmMnSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.680
_cell_length_b   5.680
_cell_length_c   5.680
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   129.568
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.750  0.750  0.750  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Sn  Sn3  1  0.250  0.250  0.250  1.0
  O  O4  1  0.732  0.268  0.268  1.0
  O  O5  1  0.268  0.732  0.732  1.0
  O  O6  1  0.732  0.268  0.732  1.0
  O  O7  1  0.268  0.732  0.268  1.0
  O  O8  1  0.732  0.732  0.268  1.0
  O  O9  1  0.268  0.268  0.732  1.0
[/CIF]
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