The material structure described by LiMn2(CO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), one O(5), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a distorted octahedral geometry to one O(10), one O(3), one O(5), one O(6), one O(7), 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 an L-shaped geometry to one Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one C(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Mn(2) and one C(2) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Mn(2) and one C(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), 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 distorted 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 an L-shaped geometry to one Mn(1) and one C(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(4) atom. is represented by the CIF card [CIF]
data_LiMn2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.214
_cell_length_b   6.691
_cell_length_c   7.584
_cell_angle_alpha   91.726
_cell_angle_beta   89.849
_cell_angle_gamma   112.077
_symmetry_Int_Tables_number   1
_cell_volume   245.035
_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
  Li  Li0  1  0.216  0.831  0.442  1.0
  Mn  Mn1  1  0.005  0.003  0.003  1.0
  Mn  Mn2  1  0.506  0.484  0.499  1.0
  C  C3  1  0.249  0.115  0.737  1.0
  C  C4  1  0.237  0.369  0.232  1.0
  C  C5  1  0.774  0.645  0.761  1.0
  C  C6  1  0.735  0.880  0.263  1.0
  O  O7  1  0.989  0.093  0.761  1.0
  O  O8  1  0.364  0.082  0.879  1.0
  O  O9  1  0.365  0.155  0.589  1.0
  O  O10  1  0.092  0.295  0.091  1.0
  O  O11  1  0.140  0.443  0.366  1.0
  O  O12  1  0.489  0.376  0.251  1.0
  O  O13  1  0.507  0.584  0.748  1.0
  O  O14  1  0.898  0.622  0.616  1.0
  O  O15  1  0.904  0.712  0.908  1.0
  O  O16  1  0.593  0.820  0.400  1.0
  O  O17  1  0.641  0.926  0.118  1.0
  O  O18  1  0.999  0.903  0.253  1.0
[/CIF]
.
The material structure described by LiMn2(CO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), one O(5), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a distorted octahedral geometry to one O(10), one O(3), one O(5), one O(6), one O(7), 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 an L-shaped geometry to one Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one C(2) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Mn(2) and one C(2) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Mn(2) and one C(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), 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 distorted 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 an L-shaped geometry to one Mn(1) and one C(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(4) atom. is represented by the CIF card [CIF]
data_LiMn2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.214
_cell_length_b   6.691
_cell_length_c   7.584
_cell_angle_alpha   91.726
_cell_angle_beta   89.849
_cell_angle_gamma   112.077
_symmetry_Int_Tables_number   1
_cell_volume   245.035
_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
  Li  Li0  1  0.216  0.831  0.442  1.0
  Mn  Mn1  1  0.005  0.003  0.003  1.0
  Mn  Mn2  1  0.506  0.484  0.499  1.0
  C  C3  1  0.249  0.115  0.737  1.0
  C  C4  1  0.237  0.369  0.232  1.0
  C  C5  1  0.774  0.645  0.761  1.0
  C  C6  1  0.735  0.880  0.263  1.0
  O  O7  1  0.989  0.093  0.761  1.0
  O  O8  1  0.364  0.082  0.879  1.0
  O  O9  1  0.365  0.155  0.589  1.0
  O  O10  1  0.092  0.295  0.091  1.0
  O  O11  1  0.140  0.443  0.366  1.0
  O  O12  1  0.489  0.376  0.251  1.0
  O  O13  1  0.507  0.584  0.748  1.0
  O  O14  1  0.898  0.622  0.616  1.0
  O  O15  1  0.904  0.712  0.908  1.0
  O  O16  1  0.593  0.820  0.400  1.0
  O  O17  1  0.641  0.926  0.118  1.0
  O  O18  1  0.999  0.903  0.253  1.0
[/CIF]
.