The material structure described by SrLa2Mn3O9 crystallizes in the trigonal P-3c1 space group. Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with six equivalent Mn(2)O6 octahedra. La(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and faces with three equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 14-19°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent La(1), one Mn(1), and one Mn(2) atom. 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(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLa2Mn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.582
_cell_length_b   5.582
_cell_length_c   13.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   364.223
_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
  Sr  Sr0  1  0.000  0.000  0.250  1.0
  Sr  Sr1  1  0.000  0.000  0.750  1.0
  La  La2  1  0.333  0.667  0.584  1.0
  La  La3  1  0.667  0.333  0.916  1.0
  La  La4  1  0.333  0.667  0.084  1.0
  La  La5  1  0.667  0.333  0.416  1.0
  Mn  Mn6  1  0.000  0.000  0.500  1.0
  Mn  Mn7  1  0.333  0.667  0.832  1.0
  Mn  Mn8  1  0.667  0.333  0.168  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Mn  Mn10  1  0.333  0.667  0.332  1.0
  Mn  Mn11  1  0.667  0.333  0.668  1.0
  O  O12  1  0.773  0.110  0.579  1.0
  O  O13  1  0.110  0.773  0.921  1.0
  O  O14  1  0.457  0.457  0.250  1.0
  O  O15  1  0.337  0.227  0.579  1.0
  O  O16  1  0.663  0.890  0.921  1.0
  O  O17  1  0.000  0.543  0.250  1.0
  O  O18  1  0.890  0.663  0.579  1.0
  O  O19  1  0.227  0.337  0.921  1.0
  O  O20  1  0.543  0.000  0.250  1.0
  O  O21  1  0.663  0.773  0.421  1.0
  O  O22  1  0.000  0.457  0.750  1.0
  O  O23  1  0.337  0.110  0.079  1.0
  O  O24  1  0.110  0.337  0.421  1.0
  O  O25  1  0.457  0.000  0.750  1.0
  O  O26  1  0.773  0.663  0.079  1.0
  O  O27  1  0.227  0.890  0.421  1.0
  O  O28  1  0.543  0.543  0.750  1.0
  O  O29  1  0.890  0.227  0.079  1.0
[/CIF]
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The material structure described by SrLa2Mn3O9 crystallizes in the trigonal P-3c1 space group. Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with six equivalent Mn(2)O6 octahedra. La(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and faces with three equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 14-19°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent La(1), one Mn(1), and one Mn(2) atom. 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(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLa2Mn3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.582
_cell_length_b   5.582
_cell_length_c   13.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   364.223
_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
  Sr  Sr0  1  0.000  0.000  0.250  1.0
  Sr  Sr1  1  0.000  0.000  0.750  1.0
  La  La2  1  0.333  0.667  0.584  1.0
  La  La3  1  0.667  0.333  0.916  1.0
  La  La4  1  0.333  0.667  0.084  1.0
  La  La5  1  0.667  0.333  0.416  1.0
  Mn  Mn6  1  0.000  0.000  0.500  1.0
  Mn  Mn7  1  0.333  0.667  0.832  1.0
  Mn  Mn8  1  0.667  0.333  0.168  1.0
  Mn  Mn9  1  0.000  0.000  0.000  1.0
  Mn  Mn10  1  0.333  0.667  0.332  1.0
  Mn  Mn11  1  0.667  0.333  0.668  1.0
  O  O12  1  0.773  0.110  0.579  1.0
  O  O13  1  0.110  0.773  0.921  1.0
  O  O14  1  0.457  0.457  0.250  1.0
  O  O15  1  0.337  0.227  0.579  1.0
  O  O16  1  0.663  0.890  0.921  1.0
  O  O17  1  0.000  0.543  0.250  1.0
  O  O18  1  0.890  0.663  0.579  1.0
  O  O19  1  0.227  0.337  0.921  1.0
  O  O20  1  0.543  0.000  0.250  1.0
  O  O21  1  0.663  0.773  0.421  1.0
  O  O22  1  0.000  0.457  0.750  1.0
  O  O23  1  0.337  0.110  0.079  1.0
  O  O24  1  0.110  0.337  0.421  1.0
  O  O25  1  0.457  0.000  0.750  1.0
  O  O26  1  0.773  0.663  0.079  1.0
  O  O27  1  0.227  0.890  0.421  1.0
  O  O28  1  0.543  0.543  0.750  1.0
  O  O29  1  0.890  0.227  0.079  1.0
[/CIF]
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