data_Li2Cr(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73
_cell_length_b   6.49
_cell_length_c   10.21
_cell_angle_alpha   58.03
_cell_angle_beta   39.11
_cell_angle_gamma   82.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cr(CO3)2
_chemical_formula_sum   'Li4 Cr2 C4 O12'
_cell_volume   261.84
_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  0.68  0.69  0.14  1.0
  Li  Li1  1  0.64  0.1  0.47  1.0
  Li  Li2  1  0.21  0.53  0.47  1.0
  Li  Li3  1  0.17  0.94  0.14  1.0
  Cr  Cr4  1  0.93  0.32  0.71  1.0
  Cr  Cr5  1  0.96  0.16  0.04  1.0
  C  C6  1  0.45  0.02  0.34  1.0
  C  C7  1  0.56  0.46  0.01  1.0
  C  C8  1  0.4  0.62  0.34  1.0
  C  C9  1  0.37  0.86  0.01  1.0
  O  O10  1  0.65  0.79  0.6  1.0
  O  O11  1  0.25  0.92  0.97  1.0
  O  O12  1  0.22  0.88  0.3  1.0
  O  O13  1  0.54  0.21  0.12  1.0
  O  O14  1  0.51  0.95  0.45  1.0
  O  O15  1  0.77  0.69  0.27  1.0
  O  O16  1  0.16  0.63  0.27  1.0
  O  O17  1  0.56  0.08  0.3  1.0
  O  O18  1  0.34  0.69  0.45  1.0
  O  O19  1  0.38  0.11  0.12  1.0
  O  O20  1  0.6  0.72  0.97  1.0
  O  O21  1  0.2  0.85  0.6  1.0

data_Li2Cr(CO3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.31
_cell_length_b   6.49
_cell_length_c   8.73
_cell_angle_alpha   82.85
_cell_angle_beta   72.29
_cell_angle_gamma   65.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cr(CO3)2
_chemical_formula_sum   'Li4 Cr2 C4 O12'
_cell_volume   261.84
_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  0.06  0.08  0.69  1.0
  Li  Li1  1  0.31  0.83  0.18  1.0
  Li  Li2  1  0.47  1.0  0.32  1.0
  Li  Li3  1  0.9  0.57  0.89  1.0
  Cr  Cr4  1  0.68  0.03  0.37  1.0
  Cr  Cr5  1  0.84  0.19  0.0  1.0
  C  C6  1  0.14  0.87  0.63  1.0
  C  C7  1  0.38  0.95  0.26  1.0
  C  C8  1  0.54  0.47  0.43  1.0
  C  C9  1  0.98  0.36  0.22  1.0
  O  O10  1  0.05  0.4  0.04  1.0
  O  O11  1  0.08  0.89  0.77  1.0
  O  O12  1  0.12  0.18  0.48  1.0
  O  O13  1  0.15  0.44  0.2  1.0
  O  O14  1  0.21  0.39  0.75  1.0
  O  O15  1  0.28  0.69  0.43  1.0
  O  O16  1  0.31  0.14  0.21  1.0
  O  O17  1  0.31  0.96  0.96  1.0
  O  O18  1  0.37  0.9  0.57  1.0
  O  O19  1  0.79  0.33  0.33  1.0
  O  O20  1  0.89  0.23  0.5  1.0
  O  O21  1  0.92  0.38  0.14  1.0

Li Li Li Li Cr Cr C C C C O O O O O O O O O O O O
Li2Cr(CO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one C(3), one O(11), and one O(6) atom. The Li(1)-C(3) bond length is 1.34 Å. The Li(1)-O(11) bond length is 2.20 Å. The Li(1)-O(6) bond length is 2.00 Å. In the second Li site, Li(2) is bonded in a distorted L-shaped geometry to one Cr(2), one O(1), and one O(5) atom. The Li(2)-Cr(2) bond length is 2.60 Å. The Li(2)-O(1) bond length is 1.80 Å. The Li(2)-O(5) bond length is 1.78 Å. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to one Cr(1), one C(3), one O(3), and one O(9) atom. The Li(3)-Cr(1) bond length is 1.38 Å. The Li(3)-C(3) bond length is 0.95 Å. The Li(3)-O(3) bond length is 1.93 Å. The Li(3)-O(9) bond length is 1.50 Å. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one Cr(2), one C(4), one O(10), one O(2), one O(3), and one O(7) atom. The Li(4)-Cr(2) bond length is 2.68 Å. The Li(4)-C(4) bond length is 1.40 Å. The Li(4)-O(10) bond length is 2.08 Å. The Li(4)-O(2) bond length is 1.33 Å. The Li(4)-O(3) bond length is 1.83 Å. The Li(4)-O(7) bond length is 1.70 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 1-coordinate geometry to one Li(3) and one O(10) atom. The Cr(1)-O(10) bond length is 2.58 Å. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one O(2), one O(5), one O(6), and one O(8) atom. The Cr(2)-O(2) bond length is 2.63 Å. The Cr(2)-O(5) bond length is 2.17 Å. The Cr(2)-O(6) bond length is 2.29 Å. The Cr(2)-O(8) bond length is 2.04 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 4-coordinate geometry to one O(12), one O(4), one O(8), and one O(9) atom. The C(1)-O(12) bond length is 1.25 Å. The C(1)-O(4) bond length is 1.24 Å. The C(1)-O(8) bond length is 0.80 Å. The C(1)-O(9) bond length is 1.73 Å. In the second C site, C(2) is bonded in a distorted bent 150 degrees geometry to one O(10), one O(11), and one O(4) atom. The C(2)-O(10) bond length is 2.05 Å. The C(2)-O(11) bond length is 1.57 Å. The C(2)-O(4) bond length is 1.34 Å. In the third C site, C(3) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one O(9) atom. The C(3)-O(9) bond length is 1.19 Å. In the fourth C site, C(4) is bonded in a 4-coordinate geometry to one Li(4), one O(11), one O(2), and one O(7) atom. The C(4)-O(11) bond length is 1.95 Å. The C(4)-O(2) bond length is 1.23 Å. The C(4)-O(7) bond length is 1.26 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(4), one Cr(2), and one C(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Li(4), and one O(10) atom. The O(3)-O(10) bond length is 1.09 Å. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one C(1), one C(2), and one O(10) atom. The O(4)-O(10) bond length is 1.65 Å. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Cr(2), and one O(8) atom. The O(5)-O(8) bond length is 0.94 Å. In the sixth O site, O(6) is bonded in a water-like geometry to one Li(1) and one Cr(2) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Li(4) and one C(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cr(2), one C(1), and one O(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(3), one C(1), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal bipyramidal geometry to one Li(4), one Cr(1), one C(2), one O(3), and one O(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one C(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one C(1) atom.