The material described by LiMn(CO3)2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-66°. In the second Li site, Li(2) is bonded to one O(12), one O(6), one O(8), and one O(9) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-66°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with two equivalent Li(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with two equivalent Li(2)O4 tetrahedra. 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(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), 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(9) 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(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(2) 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(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Mn(2) and one C(1) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Mn(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), 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(2), one Mn(1), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one C(4) atom. is represented by the CIF file [CIF]
data_LiMn(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.941
_cell_length_b   6.638
_cell_length_c   7.915
_cell_angle_alpha   90.004
_cell_angle_beta   90.002
_cell_angle_gamma   73.560
_symmetry_Int_Tables_number   1
_cell_volume   248.981
_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
  C  C0  1  0.133  0.123  0.739  1.0
  C  C1  1  0.867  0.377  0.239  1.0
  C  C2  1  0.157  0.636  0.754  1.0
  C  C3  1  0.843  0.864  0.254  1.0
  Li  Li4  1  0.663  0.607  0.952  1.0
  Li  Li5  1  0.337  0.893  0.452  1.0
  Mn  Mn6  1  0.994  0.012  0.001  1.0
  Mn  Mn7  1  0.006  0.488  0.502  1.0
  O  O8  1  0.892  0.079  0.764  1.0
  O  O9  1  0.108  0.421  0.264  1.0
  O  O10  1  0.281  0.115  0.876  1.0
  O  O11  1  0.719  0.385  0.376  1.0
  O  O12  1  0.211  0.164  0.592  1.0
  O  O13  1  0.789  0.336  0.092  1.0
  O  O14  1  0.924  0.578  0.749  1.0
  O  O15  1  0.076  0.923  0.248  1.0
  O  O16  1  0.279  0.631  0.605  1.0
  O  O17  1  0.721  0.869  0.105  1.0
  O  O18  1  0.256  0.689  0.889  1.0
  O  O19  1  0.744  0.811  0.388  1.0
[/CIF]
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The material described by LiMn(CO3)2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-66°. In the second Li site, Li(2) is bonded to one O(12), one O(6), one O(8), and one O(9) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-66°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with two equivalent Li(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with two equivalent Li(2)O4 tetrahedra. 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(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), 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(9) 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(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(2) 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(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Mn(2) and one C(1) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Mn(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), 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(2), one Mn(1), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one C(4) atom. is represented by the CIF file [CIF]
data_LiMn(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.941
_cell_length_b   6.638
_cell_length_c   7.915
_cell_angle_alpha   90.004
_cell_angle_beta   90.002
_cell_angle_gamma   73.560
_symmetry_Int_Tables_number   1
_cell_volume   248.981
_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
  C  C0  1  0.133  0.123  0.739  1.0
  C  C1  1  0.867  0.377  0.239  1.0
  C  C2  1  0.157  0.636  0.754  1.0
  C  C3  1  0.843  0.864  0.254  1.0
  Li  Li4  1  0.663  0.607  0.952  1.0
  Li  Li5  1  0.337  0.893  0.452  1.0
  Mn  Mn6  1  0.994  0.012  0.001  1.0
  Mn  Mn7  1  0.006  0.488  0.502  1.0
  O  O8  1  0.892  0.079  0.764  1.0
  O  O9  1  0.108  0.421  0.264  1.0
  O  O10  1  0.281  0.115  0.876  1.0
  O  O11  1  0.719  0.385  0.376  1.0
  O  O12  1  0.211  0.164  0.592  1.0
  O  O13  1  0.789  0.336  0.092  1.0
  O  O14  1  0.924  0.578  0.749  1.0
  O  O15  1  0.076  0.923  0.248  1.0
  O  O16  1  0.279  0.631  0.605  1.0
  O  O17  1  0.721  0.869  0.105  1.0
  O  O18  1  0.256  0.689  0.889  1.0
  O  O19  1  0.744  0.811  0.388  1.0
[/CIF]
.