The material described by LiSrLa3MnO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to one O(3), one O(4), and four equivalent O(1) atoms to form LiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Mn(1) is bonded to one O(2), one O(5), and four equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Sr(1), one La(1), one La(2), one La(3), and one Mn(1) atom to form distorted OSrLiLa3Mn octahedra that share corners with two equivalent O(1)SrLiLa3Mn octahedra, corners with three equivalent O(5)Sr2La3Mn octahedra, corners with three equivalent O(2)SrLa4Mn octahedra, edges with two equivalent O(1)SrLiLa3Mn octahedra,  a faceface with one O(5)Sr2La3Mn octahedra,  a faceface with one O(2)SrLa4Mn octahedra, and faces with four equivalent O(1)SrLiLa3Mn octahedra. The corner-sharing octahedral tilt angles range from 3-54°. In the second O site, O(2) is bonded to one Sr(1), two equivalent La(1), two equivalent La(2), and one Mn(1) atom to form distorted OSrLa4Mn octahedra that share  a cornercorner with one O(5)Sr2La3Mn octahedra, corners with four equivalent O(2)SrLa4Mn octahedra, corners with twelve equivalent O(1)SrLiLa3Mn octahedra, edges with two equivalent O(5)Sr2La3Mn octahedra, and faces with four equivalent O(1)SrLiLa3Mn octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one La(3), two equivalent La(1), and two equivalent La(2) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Sr(1), one La(1), and two equivalent La(3) atoms. In the fifth O site, O(5) is bonded to two equivalent Sr(1), one La(2), two equivalent La(3), and one Mn(1) atom to form distorted OSr2La3Mn octahedra that share  a cornercorner with one O(2)SrLa4Mn octahedra, corners with four equivalent O(5)Sr2La3Mn octahedra, corners with twelve equivalent O(1)SrLiLa3Mn octahedra, edges with two equivalent O(2)SrLa4Mn octahedra, and faces with four equivalent O(1)SrLiLa3Mn octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLiLa3MnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.883
_cell_length_b   6.883
_cell_length_c   5.443
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.561
_symmetry_Int_Tables_number   1
_cell_volume   186.883
_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  0.641  0.359  0.000  1.0
  Li  Li1  1  0.505  0.495  0.500  1.0
  La  La2  1  0.860  0.140  0.500  1.0
  La  La3  1  0.367  0.633  0.000  1.0
  La  La4  1  0.137  0.863  0.500  1.0
  Mn  Mn5  1  0.000  1.000  0.000  1.0
  O  O6  1  0.752  0.759  0.756  1.0
  O  O7  1  0.752  0.759  0.244  1.0
  O  O8  1  0.241  0.248  0.756  1.0
  O  O9  1  0.241  0.248  0.244  1.0
  O  O10  1  0.842  0.158  0.000  1.0
  O  O11  1  0.317  0.683  0.500  1.0
  O  O12  1  0.681  0.319  0.500  1.0
  O  O13  1  0.164  0.836  0.000  1.0
[/CIF]
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The material described by LiSrLa3MnO8 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to one O(3), one O(4), and four equivalent O(1) atoms to form LiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. Sr(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Mn(1) is bonded to one O(2), one O(5), and four equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Sr(1), one La(1), one La(2), one La(3), and one Mn(1) atom to form distorted OSrLiLa3Mn octahedra that share corners with two equivalent O(1)SrLiLa3Mn octahedra, corners with three equivalent O(5)Sr2La3Mn octahedra, corners with three equivalent O(2)SrLa4Mn octahedra, edges with two equivalent O(1)SrLiLa3Mn octahedra,  a faceface with one O(5)Sr2La3Mn octahedra,  a faceface with one O(2)SrLa4Mn octahedra, and faces with four equivalent O(1)SrLiLa3Mn octahedra. The corner-sharing octahedral tilt angles range from 3-54°. In the second O site, O(2) is bonded to one Sr(1), two equivalent La(1), two equivalent La(2), and one Mn(1) atom to form distorted OSrLa4Mn octahedra that share  a cornercorner with one O(5)Sr2La3Mn octahedra, corners with four equivalent O(2)SrLa4Mn octahedra, corners with twelve equivalent O(1)SrLiLa3Mn octahedra, edges with two equivalent O(5)Sr2La3Mn octahedra, and faces with four equivalent O(1)SrLiLa3Mn octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one La(3), two equivalent La(1), and two equivalent La(2) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Sr(1), one La(1), and two equivalent La(3) atoms. In the fifth O site, O(5) is bonded to two equivalent Sr(1), one La(2), two equivalent La(3), and one Mn(1) atom to form distorted OSr2La3Mn octahedra that share  a cornercorner with one O(2)SrLa4Mn octahedra, corners with four equivalent O(5)Sr2La3Mn octahedra, corners with twelve equivalent O(1)SrLiLa3Mn octahedra, edges with two equivalent O(2)SrLa4Mn octahedra, and faces with four equivalent O(1)SrLiLa3Mn octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLiLa3MnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.883
_cell_length_b   6.883
_cell_length_c   5.443
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.561
_symmetry_Int_Tables_number   1
_cell_volume   186.883
_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  0.641  0.359  0.000  1.0
  Li  Li1  1  0.505  0.495  0.500  1.0
  La  La2  1  0.860  0.140  0.500  1.0
  La  La3  1  0.367  0.633  0.000  1.0
  La  La4  1  0.137  0.863  0.500  1.0
  Mn  Mn5  1  0.000  1.000  0.000  1.0
  O  O6  1  0.752  0.759  0.756  1.0
  O  O7  1  0.752  0.759  0.244  1.0
  O  O8  1  0.241  0.248  0.756  1.0
  O  O9  1  0.241  0.248  0.244  1.0
  O  O10  1  0.842  0.158  0.000  1.0
  O  O11  1  0.317  0.683  0.500  1.0
  O  O12  1  0.681  0.319  0.500  1.0
  O  O13  1  0.164  0.836  0.000  1.0
[/CIF]
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