The material structure described by LiMn2(CO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(2), one O(3), and one O(7) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a trigonal bipyramidal geometry to one O(1), one O(12), one O(2), one O(5), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a distorted trigonal bipyramidal geometry to one O(10), one O(11), one O(3), one O(6), and one O(8) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Mn(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Li(1) and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(4) atom. is represented by the CIF file [CIF]
data_LiMn2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.741
_cell_length_b   7.331
_cell_length_c   8.459
_cell_angle_alpha   69.766
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   566.854
_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
  Li  Li0  1  0.435  0.761  0.883  1.0
  Li  Li1  1  0.935  0.239  0.117  1.0
  Mn  Mn2  1  0.353  0.284  0.185  1.0
  Mn  Mn3  1  0.853  0.716  0.815  1.0
  Mn  Mn4  1  0.141  0.802  0.676  1.0
  Mn  Mn5  1  0.641  0.198  0.324  1.0
  C  C6  1  0.109  0.506  0.008  1.0
  C  C7  1  0.609  0.494  0.992  1.0
  C  C8  1  0.480  0.508  0.384  1.0
  C  C9  1  0.980  0.492  0.616  1.0
  C  C10  1  0.016  0.014  0.887  1.0
  C  C11  1  0.516  0.986  0.113  1.0
  C  C12  1  0.399  0.997  0.520  1.0
  C  C13  1  0.899  0.003  0.480  1.0
  O  O14  1  0.150  0.365  0.138  1.0
  O  O15  1  0.476  0.469  0.009  1.0
  O  O16  1  0.696  0.387  0.099  1.0
  O  O17  1  0.196  0.613  0.901  1.0
  O  O18  1  0.976  0.531  0.991  1.0
  O  O19  1  0.650  0.635  0.862  1.0
  O  O20  1  0.963  0.365  0.548  1.0
  O  O21  1  0.374  0.466  0.311  1.0
  O  O22  1  0.599  0.426  0.391  1.0
  O  O23  1  0.099  0.574  0.609  1.0
  O  O24  1  0.874  0.534  0.689  1.0
  O  O25  1  0.528  0.864  0.040  1.0
  O  O26  1  0.463  0.635  0.452  1.0
  O  O27  1  0.116  0.989  0.794  1.0
  O  O28  1  0.902  0.914  0.907  1.0
  O  O29  1  0.402  0.086  0.093  1.0
  O  O30  1  0.616  0.011  0.206  1.0
  O  O31  1  0.028  0.136  0.960  1.0
  O  O32  1  0.352  0.871  0.657  1.0
  O  O33  1  0.028  0.959  0.486  1.0
  O  O34  1  0.814  0.927  0.602  1.0
  O  O35  1  0.314  0.073  0.398  1.0
  O  O36  1  0.528  0.041  0.514  1.0
  O  O37  1  0.852  0.129  0.343  1.0
[/CIF]
.
The material structure described by LiMn2(CO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(2), one O(3), and one O(7) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a trigonal bipyramidal geometry to one O(1), one O(12), one O(2), one O(5), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a distorted trigonal bipyramidal geometry to one O(10), one O(11), one O(3), one O(6), and one O(8) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Mn(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Li(1) and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one C(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mn(2) and one C(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(4) atom. is represented by the CIF file [CIF]
data_LiMn2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.741
_cell_length_b   7.331
_cell_length_c   8.459
_cell_angle_alpha   69.766
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   566.854
_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
  Li  Li0  1  0.435  0.761  0.883  1.0
  Li  Li1  1  0.935  0.239  0.117  1.0
  Mn  Mn2  1  0.353  0.284  0.185  1.0
  Mn  Mn3  1  0.853  0.716  0.815  1.0
  Mn  Mn4  1  0.141  0.802  0.676  1.0
  Mn  Mn5  1  0.641  0.198  0.324  1.0
  C  C6  1  0.109  0.506  0.008  1.0
  C  C7  1  0.609  0.494  0.992  1.0
  C  C8  1  0.480  0.508  0.384  1.0
  C  C9  1  0.980  0.492  0.616  1.0
  C  C10  1  0.016  0.014  0.887  1.0
  C  C11  1  0.516  0.986  0.113  1.0
  C  C12  1  0.399  0.997  0.520  1.0
  C  C13  1  0.899  0.003  0.480  1.0
  O  O14  1  0.150  0.365  0.138  1.0
  O  O15  1  0.476  0.469  0.009  1.0
  O  O16  1  0.696  0.387  0.099  1.0
  O  O17  1  0.196  0.613  0.901  1.0
  O  O18  1  0.976  0.531  0.991  1.0
  O  O19  1  0.650  0.635  0.862  1.0
  O  O20  1  0.963  0.365  0.548  1.0
  O  O21  1  0.374  0.466  0.311  1.0
  O  O22  1  0.599  0.426  0.391  1.0
  O  O23  1  0.099  0.574  0.609  1.0
  O  O24  1  0.874  0.534  0.689  1.0
  O  O25  1  0.528  0.864  0.040  1.0
  O  O26  1  0.463  0.635  0.452  1.0
  O  O27  1  0.116  0.989  0.794  1.0
  O  O28  1  0.902  0.914  0.907  1.0
  O  O29  1  0.402  0.086  0.093  1.0
  O  O30  1  0.616  0.011  0.206  1.0
  O  O31  1  0.028  0.136  0.960  1.0
  O  O32  1  0.352  0.871  0.657  1.0
  O  O33  1  0.028  0.959  0.486  1.0
  O  O34  1  0.814  0.927  0.602  1.0
  O  O35  1  0.314  0.073  0.398  1.0
  O  O36  1  0.528  0.041  0.514  1.0
  O  O37  1  0.852  0.129  0.343  1.0
[/CIF]
.