The material described by LiSr4Mn2Ga2O11 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with two equivalent Ga(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-24°. Ga(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(5) atoms to form GaO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra and corners with three equivalent Ga(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 24°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), one Mn(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ga(1) atoms to form distorted face-sharing OSr4Ga2 octahedra. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ga(1) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Ga2 octahedra. The corner-sharing octahedral tilt angles are 5°. is represented by the CIF file [CIF]
data_Sr4LiMn2Ga2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   5.583
_cell_length_c   8.860
_cell_angle_alpha   71.634
_cell_angle_beta   71.634
_cell_angle_gamma   88.303
_symmetry_Int_Tables_number   1
_cell_volume   247.997
_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  0.092  0.592  0.798  1.0
  Sr  Sr1  1  0.635  0.135  0.737  1.0
  Sr  Sr2  1  0.408  0.908  0.202  1.0
  Sr  Sr3  1  0.865  0.365  0.263  1.0
  Li  Li4  1  0.250  0.750  0.500  1.0
  Mn  Mn5  1  0.250  0.250  0.500  1.0
  Mn  Mn6  1  0.750  0.750  0.500  1.0
  Ga  Ga7  1  0.512  0.488  0.000  1.0
  Ga  Ga8  1  0.988  0.012  1.000  1.0
  O  O9  1  0.166  0.070  0.761  1.0
  O  O10  1  0.570  0.666  0.761  1.0
  O  O11  1  0.334  0.430  0.239  1.0
  O  O12  1  0.930  0.834  0.239  1.0
  O  O13  1  0.509  0.009  0.451  1.0
  O  O14  1  0.991  0.491  0.549  1.0
  O  O15  1  0.998  0.002  0.500  1.0
  O  O16  1  0.502  0.498  0.500  1.0
  O  O17  1  0.750  0.250  0.000  1.0
  O  O18  1  0.750  0.750  0.000  1.0
  O  O19  1  0.250  0.250  0.000  1.0
[/CIF]
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The material described by LiSr4Mn2Ga2O11 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with two equivalent Ga(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-24°. Ga(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(5) atoms to form GaO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra and corners with three equivalent Ga(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 24°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), one Mn(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), two equivalent Sr(2), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ga(1) atoms to form distorted face-sharing OSr4Ga2 octahedra. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ga(1) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Ga2 octahedra. The corner-sharing octahedral tilt angles are 5°. is represented by the CIF file [CIF]
data_Sr4LiMn2Ga2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.583
_cell_length_b   5.583
_cell_length_c   8.860
_cell_angle_alpha   71.634
_cell_angle_beta   71.634
_cell_angle_gamma   88.303
_symmetry_Int_Tables_number   1
_cell_volume   247.997
_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  0.092  0.592  0.798  1.0
  Sr  Sr1  1  0.635  0.135  0.737  1.0
  Sr  Sr2  1  0.408  0.908  0.202  1.0
  Sr  Sr3  1  0.865  0.365  0.263  1.0
  Li  Li4  1  0.250  0.750  0.500  1.0
  Mn  Mn5  1  0.250  0.250  0.500  1.0
  Mn  Mn6  1  0.750  0.750  0.500  1.0
  Ga  Ga7  1  0.512  0.488  0.000  1.0
  Ga  Ga8  1  0.988  0.012  1.000  1.0
  O  O9  1  0.166  0.070  0.761  1.0
  O  O10  1  0.570  0.666  0.761  1.0
  O  O11  1  0.334  0.430  0.239  1.0
  O  O12  1  0.930  0.834  0.239  1.0
  O  O13  1  0.509  0.009  0.451  1.0
  O  O14  1  0.991  0.491  0.549  1.0
  O  O15  1  0.998  0.002  0.500  1.0
  O  O16  1  0.502  0.498  0.500  1.0
  O  O17  1  0.750  0.250  0.000  1.0
  O  O18  1  0.750  0.750  0.000  1.0
  O  O19  1  0.250  0.250  0.000  1.0
[/CIF]
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