The material described by LiMn2(CO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 67°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(8) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form edge-sharing OLiMn3 tetrahedra. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one C(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2(CO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.303
_cell_length_b   6.387
_cell_length_c   9.786
_cell_angle_alpha   70.739
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   548.967
_cell_formula_units_Z   4
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
  Li  Li0  1  0.102  0.225  0.316  1.0
  Li  Li1  1  0.398  0.225  0.816  1.0
  Li  Li2  1  0.602  0.775  0.184  1.0
  Li  Li3  1  0.898  0.775  0.684  1.0
  Mn  Mn4  1  0.123  0.404  0.944  1.0
  Mn  Mn5  1  0.117  0.908  0.932  1.0
  Mn  Mn6  1  0.377  0.404  0.444  1.0
  Mn  Mn7  1  0.383  0.908  0.432  1.0
  Mn  Mn8  1  0.623  0.596  0.556  1.0
  Mn  Mn9  1  0.617  0.092  0.568  1.0
  Mn  Mn10  1  0.877  0.596  0.056  1.0
  Mn  Mn11  1  0.883  0.092  0.068  1.0
  C  C12  1  0.163  0.555  0.633  1.0
  C  C13  1  0.160  0.065  0.636  1.0
  C  C14  1  0.340  0.065  0.136  1.0
  C  C15  1  0.337  0.555  0.133  1.0
  C  C16  1  0.663  0.445  0.867  1.0
  C  C17  1  0.660  0.935  0.864  1.0
  C  C18  1  0.837  0.445  0.367  1.0
  C  C19  1  0.840  0.935  0.364  1.0
  O  O20  1  0.996  0.809  0.102  1.0
  O  O21  1  0.000  0.337  0.114  1.0
  O  O22  1  0.030  0.035  0.632  1.0
  O  O23  1  0.033  0.590  0.618  1.0
  O  O24  1  0.250  0.604  0.515  1.0
  O  O25  1  0.239  0.140  0.513  1.0
  O  O26  1  0.234  0.021  0.757  1.0
  O  O27  1  0.230  0.476  0.758  1.0
  O  O28  1  0.266  0.021  0.257  1.0
  O  O29  1  0.270  0.476  0.258  1.0
  O  O30  1  0.261  0.140  0.013  1.0
  O  O31  1  0.250  0.604  0.015  1.0
  O  O32  1  0.467  0.590  0.118  1.0
  O  O33  1  0.470  0.035  0.132  1.0
  O  O34  1  0.500  0.337  0.614  1.0
  O  O35  1  0.504  0.809  0.602  1.0
  O  O36  1  0.500  0.663  0.386  1.0
  O  O37  1  0.496  0.191  0.398  1.0
  O  O38  1  0.533  0.410  0.882  1.0
  O  O39  1  0.530  0.965  0.868  1.0
  O  O40  1  0.750  0.396  0.985  1.0
  O  O41  1  0.739  0.860  0.987  1.0
  O  O42  1  0.730  0.524  0.742  1.0
  O  O43  1  0.734  0.979  0.743  1.0
  O  O44  1  0.766  0.979  0.243  1.0
  O  O45  1  0.770  0.524  0.242  1.0
  O  O46  1  0.750  0.396  0.485  1.0
  O  O47  1  0.761  0.860  0.487  1.0
  O  O48  1  0.970  0.965  0.368  1.0
  O  O49  1  0.967  0.410  0.382  1.0
  O  O50  1  1.000  0.663  0.886  1.0
  O  O51  1  0.004  0.191  0.898  1.0
[/CIF]
.
The material described by LiMn2(CO4)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 67°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(8) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form edge-sharing OLiMn3 tetrahedra. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one C(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2(CO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.303
_cell_length_b   6.387
_cell_length_c   9.786
_cell_angle_alpha   70.739
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   548.967
_cell_formula_units_Z   4
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
  Li  Li0  1  0.102  0.225  0.316  1.0
  Li  Li1  1  0.398  0.225  0.816  1.0
  Li  Li2  1  0.602  0.775  0.184  1.0
  Li  Li3  1  0.898  0.775  0.684  1.0
  Mn  Mn4  1  0.123  0.404  0.944  1.0
  Mn  Mn5  1  0.117  0.908  0.932  1.0
  Mn  Mn6  1  0.377  0.404  0.444  1.0
  Mn  Mn7  1  0.383  0.908  0.432  1.0
  Mn  Mn8  1  0.623  0.596  0.556  1.0
  Mn  Mn9  1  0.617  0.092  0.568  1.0
  Mn  Mn10  1  0.877  0.596  0.056  1.0
  Mn  Mn11  1  0.883  0.092  0.068  1.0
  C  C12  1  0.163  0.555  0.633  1.0
  C  C13  1  0.160  0.065  0.636  1.0
  C  C14  1  0.340  0.065  0.136  1.0
  C  C15  1  0.337  0.555  0.133  1.0
  C  C16  1  0.663  0.445  0.867  1.0
  C  C17  1  0.660  0.935  0.864  1.0
  C  C18  1  0.837  0.445  0.367  1.0
  C  C19  1  0.840  0.935  0.364  1.0
  O  O20  1  0.996  0.809  0.102  1.0
  O  O21  1  0.000  0.337  0.114  1.0
  O  O22  1  0.030  0.035  0.632  1.0
  O  O23  1  0.033  0.590  0.618  1.0
  O  O24  1  0.250  0.604  0.515  1.0
  O  O25  1  0.239  0.140  0.513  1.0
  O  O26  1  0.234  0.021  0.757  1.0
  O  O27  1  0.230  0.476  0.758  1.0
  O  O28  1  0.266  0.021  0.257  1.0
  O  O29  1  0.270  0.476  0.258  1.0
  O  O30  1  0.261  0.140  0.013  1.0
  O  O31  1  0.250  0.604  0.015  1.0
  O  O32  1  0.467  0.590  0.118  1.0
  O  O33  1  0.470  0.035  0.132  1.0
  O  O34  1  0.500  0.337  0.614  1.0
  O  O35  1  0.504  0.809  0.602  1.0
  O  O36  1  0.500  0.663  0.386  1.0
  O  O37  1  0.496  0.191  0.398  1.0
  O  O38  1  0.533  0.410  0.882  1.0
  O  O39  1  0.530  0.965  0.868  1.0
  O  O40  1  0.750  0.396  0.985  1.0
  O  O41  1  0.739  0.860  0.987  1.0
  O  O42  1  0.730  0.524  0.742  1.0
  O  O43  1  0.734  0.979  0.743  1.0
  O  O44  1  0.766  0.979  0.243  1.0
  O  O45  1  0.770  0.524  0.242  1.0
  O  O46  1  0.750  0.396  0.485  1.0
  O  O47  1  0.761  0.860  0.487  1.0
  O  O48  1  0.970  0.965  0.368  1.0
  O  O49  1  0.967  0.410  0.382  1.0
  O  O50  1  1.000  0.663  0.886  1.0
  O  O51  1  0.004  0.191  0.898  1.0
[/CIF]
.