The material structure described by Cs2LiMnO4 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra and  an edgeedge with one Mn(1)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), two equivalent Cs(2), one Li(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), two equivalent Cs(2), one Li(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(2), one Li(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Cs2LiMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.080
_cell_length_b   6.902
_cell_length_c   8.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.136
_symmetry_Int_Tables_number   1
_cell_volume   313.087
_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
  Cs  Cs0  1  0.606  0.213  0.545  1.0
  Cs  Cs1  1  0.394  0.787  0.045  1.0
  Cs  Cs2  1  0.926  0.853  0.411  1.0
  Cs  Cs3  1  0.074  0.147  0.911  1.0
  Li  Li4  1  0.792  0.584  0.827  1.0
  Li  Li5  1  0.208  0.416  0.327  1.0
  Mn  Mn6  1  0.301  0.603  0.608  1.0
  Mn  Mn7  1  0.699  0.397  0.108  1.0
  O  O8  1  0.639  0.279  0.919  1.0
  O  O9  1  0.361  0.721  0.419  1.0
  O  O10  1  0.165  0.330  0.561  1.0
  O  O11  1  0.835  0.670  0.061  1.0
  O  O12  1  0.429  0.327  0.211  1.0
  O  O13  1  0.571  0.673  0.711  1.0
  O  O14  1  0.898  0.327  0.211  1.0
  O  O15  1  0.102  0.673  0.711  1.0
[/CIF]
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The material structure described by Cs2LiMnO4 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra and  an edgeedge with one Mn(1)O4 tetrahedra. Mn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), two equivalent Cs(2), one Li(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to two equivalent Cs(1), two equivalent Cs(2), one Li(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(2), one Li(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Cs2LiMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.080
_cell_length_b   6.902
_cell_length_c   8.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   116.136
_symmetry_Int_Tables_number   1
_cell_volume   313.087
_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
  Cs  Cs0  1  0.606  0.213  0.545  1.0
  Cs  Cs1  1  0.394  0.787  0.045  1.0
  Cs  Cs2  1  0.926  0.853  0.411  1.0
  Cs  Cs3  1  0.074  0.147  0.911  1.0
  Li  Li4  1  0.792  0.584  0.827  1.0
  Li  Li5  1  0.208  0.416  0.327  1.0
  Mn  Mn6  1  0.301  0.603  0.608  1.0
  Mn  Mn7  1  0.699  0.397  0.108  1.0
  O  O8  1  0.639  0.279  0.919  1.0
  O  O9  1  0.361  0.721  0.419  1.0
  O  O10  1  0.165  0.330  0.561  1.0
  O  O11  1  0.835  0.670  0.061  1.0
  O  O12  1  0.429  0.327  0.211  1.0
  O  O13  1  0.571  0.673  0.711  1.0
  O  O14  1  0.898  0.327  0.211  1.0
  O  O15  1  0.102  0.673  0.711  1.0
[/CIF]
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