The material described by Li3Mn2(CO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(6), one O(7), and one O(8) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(12), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted pentagonal pyramidal geometry to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a pentagonal pyramidal geometry to one O(1), one O(11), one O(12), one O(2), one O(5), 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(3), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), 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(11), one O(7), and one O(8) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one C(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Mn(1) and one C(1) 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 a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(2), one Mn(2), and one C(3) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Li(3), one Mn(1), and one C(4) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Li(3), one Mn(1), and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(2), and one C(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one C(4) atom. is represented by the CIF file [CIF]
data_Li3Mn2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.366
_cell_length_b   6.436
_cell_length_c   8.620
_cell_angle_alpha   84.138
_cell_angle_beta   107.278
_cell_angle_gamma   114.181
_symmetry_Int_Tables_number   1
_cell_volume   259.244
_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  0.510  0.980  0.349  1.0
  Li  Li1  1  0.179  0.018  0.646  1.0
  Li  Li2  1  0.290  0.524  0.858  1.0
  Mn  Mn3  1  0.630  0.493  0.493  1.0
  Mn  Mn4  1  0.911  0.005  0.004  1.0
  C  C5  1  0.366  0.413  0.210  1.0
  C  C6  1  0.904  0.907  0.300  1.0
  C  C7  1  0.698  0.093  0.702  1.0
  C  C8  1  0.747  0.592  0.789  1.0
  O  O9  1  0.220  0.362  0.063  1.0
  O  O10  1  0.699  0.946  0.196  1.0
  O  O11  1  0.274  0.467  0.319  1.0
  O  O12  1  0.619  0.412  0.270  1.0
  O  O13  1  0.120  0.927  0.254  1.0
  O  O14  1  0.885  0.850  0.448  1.0
  O  O15  1  0.589  0.147  0.555  1.0
  O  O16  1  0.955  0.100  0.751  1.0
  O  O17  1  0.496  0.529  0.677  1.0
  O  O18  1  0.952  0.589  0.740  1.0
  O  O19  1  0.546  0.031  0.804  1.0
  O  O20  1  0.764  0.651  0.929  1.0
[/CIF]
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The material described by Li3Mn2(CO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(6), one O(7), and one O(8) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(12), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted pentagonal pyramidal geometry to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a pentagonal pyramidal geometry to one O(1), one O(11), one O(12), one O(2), one O(5), 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(3), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), 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(11), one O(7), and one O(8) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one C(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Mn(1) and one C(1) 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 a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(2), one Mn(2), and one C(3) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Li(3), one Mn(1), and one C(4) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Li(3), one Mn(1), and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(2), and one C(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one C(4) atom. is represented by the CIF file [CIF]
data_Li3Mn2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.366
_cell_length_b   6.436
_cell_length_c   8.620
_cell_angle_alpha   84.138
_cell_angle_beta   107.278
_cell_angle_gamma   114.181
_symmetry_Int_Tables_number   1
_cell_volume   259.244
_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  0.510  0.980  0.349  1.0
  Li  Li1  1  0.179  0.018  0.646  1.0
  Li  Li2  1  0.290  0.524  0.858  1.0
  Mn  Mn3  1  0.630  0.493  0.493  1.0
  Mn  Mn4  1  0.911  0.005  0.004  1.0
  C  C5  1  0.366  0.413  0.210  1.0
  C  C6  1  0.904  0.907  0.300  1.0
  C  C7  1  0.698  0.093  0.702  1.0
  C  C8  1  0.747  0.592  0.789  1.0
  O  O9  1  0.220  0.362  0.063  1.0
  O  O10  1  0.699  0.946  0.196  1.0
  O  O11  1  0.274  0.467  0.319  1.0
  O  O12  1  0.619  0.412  0.270  1.0
  O  O13  1  0.120  0.927  0.254  1.0
  O  O14  1  0.885  0.850  0.448  1.0
  O  O15  1  0.589  0.147  0.555  1.0
  O  O16  1  0.955  0.100  0.751  1.0
  O  O17  1  0.496  0.529  0.677  1.0
  O  O18  1  0.952  0.589  0.740  1.0
  O  O19  1  0.546  0.031  0.804  1.0
  O  O20  1  0.764  0.651  0.929  1.0
[/CIF]
.