The material structure described by RbLiMn3O4 crystallizes in the monoclinic Cm space group. Rb(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Li(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 trigonal pyramids, corners with three equivalent Mn(3)O4 trigonal pyramids, and edges with two equivalent Mn(1)O4 tetrahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form MnO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 trigonal pyramids, corners with three equivalent Mn(3)O4 trigonal pyramids, and edges with two equivalent Li(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form MnO4 trigonal pyramids that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 trigonal pyramids, and edges with two equivalent Mn(3)O4 trigonal pyramids. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted MnO4 trigonal pyramids that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(3)O4 trigonal pyramids, and edges with two equivalent Mn(2)O4 trigonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Rb(1), two equivalent Li(1), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Li(1), one Mn(3), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_RbLiMn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.231
_cell_length_b   6.231
_cell_length_c   8.418
_cell_angle_alpha   49.025
_cell_angle_beta   49.025
_cell_angle_gamma   33.557
_symmetry_Int_Tables_number   1
_cell_volume   131.655
_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
  Rb  Rb0  1  0.009  0.009  0.996  1.0
  Li  Li1  1  0.819  0.819  0.810  1.0
  Mn  Mn2  1  0.200  0.200  0.157  1.0
  Mn  Mn3  1  0.368  0.368  0.468  1.0
  Mn  Mn4  1  0.621  0.621  0.557  1.0
  O  O5  1  0.229  0.229  0.376  1.0
  O  O6  1  0.598  0.598  0.183  1.0
  O  O7  1  0.392  0.392  0.823  1.0
  O  O8  1  0.765  0.765  0.631  1.0
[/CIF]
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The material structure described by RbLiMn3O4 crystallizes in the monoclinic Cm space group. Rb(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Li(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 trigonal pyramids, corners with three equivalent Mn(3)O4 trigonal pyramids, and edges with two equivalent Mn(1)O4 tetrahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form MnO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with three equivalent Mn(2)O4 trigonal pyramids, corners with three equivalent Mn(3)O4 trigonal pyramids, and edges with two equivalent Li(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form MnO4 trigonal pyramids that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 trigonal pyramids, and edges with two equivalent Mn(3)O4 trigonal pyramids. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted MnO4 trigonal pyramids that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(3)O4 trigonal pyramids, and edges with two equivalent Mn(2)O4 trigonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Rb(1), two equivalent Li(1), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Li(1), one Mn(3), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_RbLiMn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.231
_cell_length_b   6.231
_cell_length_c   8.418
_cell_angle_alpha   49.025
_cell_angle_beta   49.025
_cell_angle_gamma   33.557
_symmetry_Int_Tables_number   1
_cell_volume   131.655
_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
  Rb  Rb0  1  0.009  0.009  0.996  1.0
  Li  Li1  1  0.819  0.819  0.810  1.0
  Mn  Mn2  1  0.200  0.200  0.157  1.0
  Mn  Mn3  1  0.368  0.368  0.468  1.0
  Mn  Mn4  1  0.621  0.621  0.557  1.0
  O  O5  1  0.229  0.229  0.376  1.0
  O  O6  1  0.598  0.598  0.183  1.0
  O  O7  1  0.392  0.392  0.823  1.0
  O  O8  1  0.765  0.765  0.631  1.0
[/CIF]
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