The crystal structure described by SrSmCr4O12 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sm(1)O12 cuboctahedra, and faces with eight equivalent Cr(1)O6 octahedra. Sm(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form SmO12 cuboctahedra that share corners with four equivalent Sm(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Cr(1)O6 octahedra. Cr(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), one Sm(1), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted square co-planar geometry to two equivalent Sr(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sm(1) and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_SrSmCr4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.325
_cell_length_b   5.325
_cell_length_c   7.605
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.659
_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
  Sr  Sr0  1  0.000  0.000  0.500  1.0
  Sm  Sm1  1  0.500  0.500  0.000  1.0
  Cr  Cr2  1  0.000  0.500  0.748  1.0
  Cr  Cr3  1  0.000  0.500  0.252  1.0
  Cr  Cr4  1  0.500  0.000  0.748  1.0
  Cr  Cr5  1  0.500  0.000  0.252  1.0
  O  O6  1  0.256  0.256  0.758  1.0
  O  O7  1  0.256  0.256  0.242  1.0
  O  O8  1  0.744  0.744  0.242  1.0
  O  O9  1  0.744  0.744  0.758  1.0
  O  O10  1  0.744  0.256  0.758  1.0
  O  O11  1  0.744  0.256  0.242  1.0
  O  O12  1  0.256  0.744  0.242  1.0
  O  O13  1  0.256  0.744  0.758  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.500  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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The crystal structure described by SrSmCr4O12 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sm(1)O12 cuboctahedra, and faces with eight equivalent Cr(1)O6 octahedra. Sm(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form SmO12 cuboctahedra that share corners with four equivalent Sm(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Cr(1)O6 octahedra. Cr(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Sm(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), one Sm(1), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted square co-planar geometry to two equivalent Sr(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sm(1) and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_SrSmCr4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.325
_cell_length_b   5.325
_cell_length_c   7.605
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.659
_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
  Sr  Sr0  1  0.000  0.000  0.500  1.0
  Sm  Sm1  1  0.500  0.500  0.000  1.0
  Cr  Cr2  1  0.000  0.500  0.748  1.0
  Cr  Cr3  1  0.000  0.500  0.252  1.0
  Cr  Cr4  1  0.500  0.000  0.748  1.0
  Cr  Cr5  1  0.500  0.000  0.252  1.0
  O  O6  1  0.256  0.256  0.758  1.0
  O  O7  1  0.256  0.256  0.242  1.0
  O  O8  1  0.744  0.744  0.242  1.0
  O  O9  1  0.744  0.744  0.758  1.0
  O  O10  1  0.744  0.256  0.758  1.0
  O  O11  1  0.744  0.256  0.242  1.0
  O  O12  1  0.256  0.744  0.242  1.0
  O  O13  1  0.256  0.744  0.758  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.500  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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