The compound described by Sr3LaMn4O12 crystallizes in the monoclinic P2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. La(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form distorted LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom 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 Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-17°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one 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 one Sr(1), one Sr(2), one Sr(3), one La(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent La(1), and two equivalent Mn(2) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mn(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent La(1), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Sr3LaMn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.515
_cell_length_b   5.479
_cell_length_c   7.819
_cell_angle_alpha   90.585
_cell_angle_beta   90.001
_cell_angle_gamma   89.943
_symmetry_Int_Tables_number   1
_cell_volume   236.254
_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  1.000  0.500  0.250  1.0
  Sr  Sr1  1  0.501  0.000  0.750  1.0
  Sr  Sr2  1  0.997  0.500  0.750  1.0
  La  La3  1  0.503  1.000  0.250  1.0
  Mn  Mn4  1  0.000  0.000  0.502  1.0
  Mn  Mn5  1  0.500  0.500  0.998  1.0
  Mn  Mn6  1  0.000  1.000  0.998  1.0
  Mn  Mn7  1  0.500  0.500  0.502  1.0
  O  O8  1  0.726  0.226  0.513  1.0
  O  O9  1  0.235  0.735  0.025  1.0
  O  O10  1  0.235  0.265  0.475  1.0
  O  O11  1  0.726  0.774  0.988  1.0
  O  O12  1  0.037  1.000  0.750  1.0
  O  O13  1  0.535  0.500  0.250  1.0
  O  O14  1  0.769  0.731  0.516  1.0
  O  O15  1  0.275  0.225  0.026  1.0
  O  O16  1  0.956  0.000  0.250  1.0
  O  O17  1  0.461  0.500  0.750  1.0
  O  O18  1  0.275  0.775  0.474  1.0
  O  O19  1  0.769  0.269  0.984  1.0
[/CIF]
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The compound described by Sr3LaMn4O12 crystallizes in the monoclinic P2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. La(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form distorted LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-17°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom 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 Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-17°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one 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 one Sr(1), one Sr(2), one Sr(3), one La(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent La(1), and two equivalent Mn(2) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one La(1), one Mn(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent La(1), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Sr3LaMn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.515
_cell_length_b   5.479
_cell_length_c   7.819
_cell_angle_alpha   90.585
_cell_angle_beta   90.001
_cell_angle_gamma   89.943
_symmetry_Int_Tables_number   1
_cell_volume   236.254
_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  1.000  0.500  0.250  1.0
  Sr  Sr1  1  0.501  0.000  0.750  1.0
  Sr  Sr2  1  0.997  0.500  0.750  1.0
  La  La3  1  0.503  1.000  0.250  1.0
  Mn  Mn4  1  0.000  0.000  0.502  1.0
  Mn  Mn5  1  0.500  0.500  0.998  1.0
  Mn  Mn6  1  0.000  1.000  0.998  1.0
  Mn  Mn7  1  0.500  0.500  0.502  1.0
  O  O8  1  0.726  0.226  0.513  1.0
  O  O9  1  0.235  0.735  0.025  1.0
  O  O10  1  0.235  0.265  0.475  1.0
  O  O11  1  0.726  0.774  0.988  1.0
  O  O12  1  0.037  1.000  0.750  1.0
  O  O13  1  0.535  0.500  0.250  1.0
  O  O14  1  0.769  0.731  0.516  1.0
  O  O15  1  0.275  0.225  0.026  1.0
  O  O16  1  0.956  0.000  0.250  1.0
  O  O17  1  0.461  0.500  0.750  1.0
  O  O18  1  0.275  0.775  0.474  1.0
  O  O19  1  0.769  0.269  0.984  1.0
[/CIF]
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