The structure described by SrLaMn2O6 crystallizes in the tetragonal I-4 space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, 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(2)O6 octahedra and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-22°. In the second Mn site, Mn(2) 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 and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent La(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OSr2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one La(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.394
_cell_length_b   5.396
_cell_length_c   5.609
_cell_angle_alpha   118.759
_cell_angle_beta   118.748
_cell_angle_gamma   89.989
_symmetry_Int_Tables_number   1
_cell_volume   119.649
_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  0.250  0.750  0.500  1.0
  La  La1  1  0.750  0.250  0.500  1.0
  Mn  Mn2  1  1.000  0.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  1.000  1.0
  O  O4  1  0.233  0.233  0.467  1.0
  O  O5  1  0.194  0.695  0.986  1.0
  O  O6  1  0.305  0.208  0.014  1.0
  O  O7  1  0.767  0.767  0.534  1.0
  O  O8  1  0.710  0.807  0.014  1.0
  O  O9  1  0.792  0.290  0.986  1.0
[/CIF]
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The structure described by SrLaMn2O6 crystallizes in the tetragonal I-4 space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, 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(2)O6 octahedra and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-22°. In the second Mn site, Mn(2) 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 and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent La(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OSr2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one La(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.394
_cell_length_b   5.396
_cell_length_c   5.609
_cell_angle_alpha   118.759
_cell_angle_beta   118.748
_cell_angle_gamma   89.989
_symmetry_Int_Tables_number   1
_cell_volume   119.649
_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  0.250  0.750  0.500  1.0
  La  La1  1  0.750  0.250  0.500  1.0
  Mn  Mn2  1  1.000  0.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  1.000  1.0
  O  O4  1  0.233  0.233  0.467  1.0
  O  O5  1  0.194  0.695  0.986  1.0
  O  O6  1  0.305  0.208  0.014  1.0
  O  O7  1  0.767  0.767  0.534  1.0
  O  O8  1  0.710  0.807  0.014  1.0
  O  O9  1  0.792  0.290  0.986  1.0
[/CIF]
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