The material structure described by Li2Cr(CO3)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-80°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids and edges with two equivalent Li(1)O4 trigonal pyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cr(1), and one C(1) atom to form a mixture of distorted edge and corner-sharing OLi2CrC trigonal pyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one C(1) atom. is represented by the CIF file [CIF]
data_Li2Cr(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.848
_cell_length_b   5.253
_cell_length_c   7.160
_cell_angle_alpha   64.910
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.320
_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  0.928  0.097  0.270  1.0
  Li  Li1  1  0.428  0.903  0.230  1.0
  Li  Li2  1  0.572  0.097  0.770  1.0
  Li  Li3  1  0.072  0.903  0.730  1.0
  Cr  Cr4  1  0.500  0.500  0.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  C  C6  1  0.271  0.345  0.349  1.0
  C  C7  1  0.771  0.655  0.151  1.0
  C  C8  1  0.229  0.345  0.849  1.0
  C  C9  1  0.729  0.655  0.651  1.0
  O  O10  1  0.126  0.206  0.409  1.0
  O  O11  1  0.895  0.761  0.215  1.0
  O  O12  1  0.395  0.239  0.285  1.0
  O  O13  1  0.626  0.794  0.091  1.0
  O  O14  1  0.284  0.582  0.359  1.0
  O  O15  1  0.784  0.418  0.141  1.0
  O  O16  1  0.216  0.582  0.859  1.0
  O  O17  1  0.716  0.418  0.641  1.0
  O  O18  1  0.374  0.206  0.909  1.0
  O  O19  1  0.605  0.761  0.715  1.0
  O  O20  1  0.105  0.239  0.785  1.0
  O  O21  1  0.874  0.794  0.591  1.0
[/CIF]
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The material structure described by Li2Cr(CO3)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-80°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids and edges with two equivalent Li(1)O4 trigonal pyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cr(1), and one C(1) atom to form a mixture of distorted edge and corner-sharing OLi2CrC trigonal pyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one C(1) atom. is represented by the CIF file [CIF]
data_Li2Cr(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.848
_cell_length_b   5.253
_cell_length_c   7.160
_cell_angle_alpha   64.910
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.320
_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  0.928  0.097  0.270  1.0
  Li  Li1  1  0.428  0.903  0.230  1.0
  Li  Li2  1  0.572  0.097  0.770  1.0
  Li  Li3  1  0.072  0.903  0.730  1.0
  Cr  Cr4  1  0.500  0.500  0.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  C  C6  1  0.271  0.345  0.349  1.0
  C  C7  1  0.771  0.655  0.151  1.0
  C  C8  1  0.229  0.345  0.849  1.0
  C  C9  1  0.729  0.655  0.651  1.0
  O  O10  1  0.126  0.206  0.409  1.0
  O  O11  1  0.895  0.761  0.215  1.0
  O  O12  1  0.395  0.239  0.285  1.0
  O  O13  1  0.626  0.794  0.091  1.0
  O  O14  1  0.284  0.582  0.359  1.0
  O  O15  1  0.784  0.418  0.141  1.0
  O  O16  1  0.216  0.582  0.859  1.0
  O  O17  1  0.716  0.418  0.641  1.0
  O  O18  1  0.374  0.206  0.909  1.0
  O  O19  1  0.605  0.761  0.715  1.0
  O  O20  1  0.105  0.239  0.785  1.0
  O  O21  1  0.874  0.794  0.591  1.0
[/CIF]
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