The crystal structure described by LiCr(CO3)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-69°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are two 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. There are six inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Cr(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 Cr(1), and one C(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Cr(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.024
_cell_length_b   6.596
_cell_length_c   7.832
_cell_angle_alpha   90.002
_cell_angle_beta   89.994
_cell_angle_gamma   65.695
_symmetry_Int_Tables_number   1
_cell_volume   236.534
_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  0.736  0.617  0.052  1.0
  Li  Li1  1  0.764  0.883  0.552  1.0
  Cr  Cr2  1  0.506  0.490  0.504  1.0
  Cr  Cr3  1  0.994  0.010  0.004  1.0
  C  C4  1  0.738  0.136  0.265  1.0
  C  C5  1  0.762  0.364  0.765  1.0
  C  C6  1  0.217  0.646  0.245  1.0
  C  C7  1  0.283  0.854  0.745  1.0
  O  O8  1  0.610  0.104  0.132  1.0
  O  O9  1  0.890  0.396  0.632  1.0
  O  O10  1  0.612  0.180  0.414  1.0
  O  O11  1  0.888  0.320  0.914  1.0
  O  O12  1  0.493  0.387  0.743  1.0
  O  O13  1  0.006  0.113  0.243  1.0
  O  O14  1  0.099  0.622  0.387  1.0
  O  O15  1  0.401  0.878  0.887  1.0
  O  O16  1  0.070  0.704  0.104  1.0
  O  O17  1  0.430  0.796  0.604  1.0
  O  O18  1  0.005  0.898  0.753  1.0
  O  O19  1  0.495  0.602  0.253  1.0
[/CIF]
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The crystal structure described by LiCr(CO3)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-69°. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are two 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. There are six inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Cr(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 Cr(1), and one C(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Cr(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCr(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.024
_cell_length_b   6.596
_cell_length_c   7.832
_cell_angle_alpha   90.002
_cell_angle_beta   89.994
_cell_angle_gamma   65.695
_symmetry_Int_Tables_number   1
_cell_volume   236.534
_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  0.736  0.617  0.052  1.0
  Li  Li1  1  0.764  0.883  0.552  1.0
  Cr  Cr2  1  0.506  0.490  0.504  1.0
  Cr  Cr3  1  0.994  0.010  0.004  1.0
  C  C4  1  0.738  0.136  0.265  1.0
  C  C5  1  0.762  0.364  0.765  1.0
  C  C6  1  0.217  0.646  0.245  1.0
  C  C7  1  0.283  0.854  0.745  1.0
  O  O8  1  0.610  0.104  0.132  1.0
  O  O9  1  0.890  0.396  0.632  1.0
  O  O10  1  0.612  0.180  0.414  1.0
  O  O11  1  0.888  0.320  0.914  1.0
  O  O12  1  0.493  0.387  0.743  1.0
  O  O13  1  0.006  0.113  0.243  1.0
  O  O14  1  0.099  0.622  0.387  1.0
  O  O15  1  0.401  0.878  0.887  1.0
  O  O16  1  0.070  0.704  0.104  1.0
  O  O17  1  0.430  0.796  0.604  1.0
  O  O18  1  0.005  0.898  0.753  1.0
  O  O19  1  0.495  0.602  0.253  1.0
[/CIF]
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