The material described by SrLa3Mn4O12 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Sr(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent La(2)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form LaO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. In the second La site, La(2) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form LaO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the second Mn site, Mn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. In the third Mn site, Mn(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), one La(2), two equivalent La(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one La(2), two equivalent La(1), one Mn(1), and one Mn(3) atom. In the third O site, O(3) is bonded to one Sr(1), one La(2), two equivalent La(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OSrLa3Mn2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Sr(1), one La(2), two equivalent La(1), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OSrLa3Mn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_SrLa3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.809
_cell_length_b   6.809
_cell_length_c   6.791
_cell_angle_alpha   69.942
_cell_angle_beta   110.063
_cell_angle_gamma   71.594
_symmetry_Int_Tables_number   1
_cell_volume   242.000
_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  0.000  0.500  1.0
  La  La2  1  0.500  0.500  0.000  1.0
  La  La3  1  0.000  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  Mn  Mn6  1  0.000  1.000  0.500  1.0
  Mn  Mn7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.001  0.264  0.245  1.0
  O  O9  1  0.508  0.743  0.255  1.0
  O  O10  1  0.999  0.736  0.755  1.0
  O  O11  1  0.492  0.257  0.745  1.0
  O  O12  1  0.736  0.999  0.245  1.0
  O  O13  1  0.257  0.492  0.255  1.0
  O  O14  1  0.743  0.508  0.745  1.0
  O  O15  1  0.264  0.001  0.755  1.0
  O  O16  1  0.755  0.245  0.491  1.0
  O  O17  1  0.245  0.755  0.509  1.0
  O  O18  1  0.747  0.747  1.000  1.0
  O  O19  1  0.253  0.253  1.000  1.0
[/CIF]
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The material described by SrLa3Mn4O12 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Sr(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent La(2)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form LaO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. In the second La site, La(2) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form LaO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the second Mn site, Mn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. In the third Mn site, Mn(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), one La(2), two equivalent La(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one La(2), two equivalent La(1), one Mn(1), and one Mn(3) atom. In the third O site, O(3) is bonded to one Sr(1), one La(2), two equivalent La(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OSrLa3Mn2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Sr(1), one La(2), two equivalent La(1), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OSrLa3Mn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_SrLa3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.809
_cell_length_b   6.809
_cell_length_c   6.791
_cell_angle_alpha   69.942
_cell_angle_beta   110.063
_cell_angle_gamma   71.594
_symmetry_Int_Tables_number   1
_cell_volume   242.000
_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  0.000  0.500  1.0
  La  La2  1  0.500  0.500  0.000  1.0
  La  La3  1  0.000  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.000  1.0
  Mn  Mn6  1  0.000  1.000  0.500  1.0
  Mn  Mn7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.001  0.264  0.245  1.0
  O  O9  1  0.508  0.743  0.255  1.0
  O  O10  1  0.999  0.736  0.755  1.0
  O  O11  1  0.492  0.257  0.745  1.0
  O  O12  1  0.736  0.999  0.245  1.0
  O  O13  1  0.257  0.492  0.255  1.0
  O  O14  1  0.743  0.508  0.745  1.0
  O  O15  1  0.264  0.001  0.755  1.0
  O  O16  1  0.755  0.245  0.491  1.0
  O  O17  1  0.245  0.755  0.509  1.0
  O  O18  1  0.747  0.747  1.000  1.0
  O  O19  1  0.253  0.253  1.000  1.0
[/CIF]
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