The compound described by SrLaMn2O6 crystallizes in the tetragonal I-42m space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. La(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted LaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OSr2La2Mn2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent La(1), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.540
_cell_length_b   5.540
_cell_length_c   5.540
_cell_angle_alpha   120.540
_cell_angle_beta   120.540
_cell_angle_gamma   89.067
_symmetry_Int_Tables_number   1
_cell_volume   119.225
_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  0.000  1.0
  La  La1  1  0.500  0.500  0.000  1.0
  Mn  Mn2  1  0.250  0.750  0.500  1.0
  Mn  Mn3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.958  0.958  0.430  1.0
  O  O6  1  0.472  0.042  0.000  1.0
  O  O7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.042  0.472  0.000  1.0
  O  O9  1  0.528  0.528  0.570  1.0
[/CIF]
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The compound described by SrLaMn2O6 crystallizes in the tetragonal I-42m space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. La(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted LaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OSr2La2Mn2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent La(1), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.540
_cell_length_b   5.540
_cell_length_c   5.540
_cell_angle_alpha   120.540
_cell_angle_beta   120.540
_cell_angle_gamma   89.067
_symmetry_Int_Tables_number   1
_cell_volume   119.225
_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  0.000  1.0
  La  La1  1  0.500  0.500  0.000  1.0
  Mn  Mn2  1  0.250  0.750  0.500  1.0
  Mn  Mn3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.958  0.958  0.430  1.0
  O  O6  1  0.472  0.042  0.000  1.0
  O  O7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.042  0.472  0.000  1.0
  O  O9  1  0.528  0.528  0.570  1.0
[/CIF]
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