The structure described by LiCr2(CO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(7), and one O(9) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in an octahedral geometry to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom. In the second Cr site, Cr(2) is bonded in an octahedral geometry to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) 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(2), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), 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(10), 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(11), one O(12), and one O(9) atom. There are twelve 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(2), and one C(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Cr(2) and one C(2) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Cr(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one Cr(2) and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cr(1) and one C(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one C(4) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one Cr(2) and one C(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Cr(1) and one C(4) atom. is represented by the CIF card [CIF]
data_LiCr2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.179
_cell_length_b   6.550
_cell_length_c   7.665
_cell_angle_alpha   88.758
_cell_angle_beta   88.347
_cell_angle_gamma   67.212
_symmetry_Int_Tables_number   1
_cell_volume   239.621
_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  0.785  0.834  0.553  1.0
  Cr  Cr1  1  0.997  0.003  0.001  1.0
  Cr  Cr2  1  0.495  0.490  0.505  1.0
  C  C3  1  0.749  0.131  0.268  1.0
  C  C4  1  0.753  0.361  0.766  1.0
  C  C5  1  0.240  0.645  0.242  1.0
  C  C6  1  0.264  0.867  0.734  1.0
  O  O7  1  0.636  0.087  0.132  1.0
  O  O8  1  0.621  0.176  0.418  1.0
  O  O9  1  0.498  0.379  0.753  1.0
  O  O10  1  0.007  0.111  0.243  1.0
  O  O11  1  0.890  0.295  0.910  1.0
  O  O12  1  0.866  0.418  0.630  1.0
  O  O13  1  0.106  0.623  0.383  1.0
  O  O14  1  0.114  0.711  0.095  1.0
  O  O15  1  0.003  0.887  0.749  1.0
  O  O16  1  0.506  0.589  0.254  1.0
  O  O17  1  0.414  0.800  0.594  1.0
  O  O18  1  0.362  0.922  0.870  1.0
[/CIF]
.
The structure described by LiCr2(CO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(7), and one O(9) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in an octahedral geometry to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom. In the second Cr site, Cr(2) is bonded in an octahedral geometry to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) 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(2), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), 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(10), 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(11), one O(12), and one O(9) atom. There are twelve 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(2), and one C(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Cr(2) and one C(2) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Cr(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one Cr(2) and one C(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Cr(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cr(1) and one C(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one C(4) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one Cr(2) and one C(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(2), and one C(4) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Cr(1) and one C(4) atom. is represented by the CIF card [CIF]
data_LiCr2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.179
_cell_length_b   6.550
_cell_length_c   7.665
_cell_angle_alpha   88.758
_cell_angle_beta   88.347
_cell_angle_gamma   67.212
_symmetry_Int_Tables_number   1
_cell_volume   239.621
_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  0.785  0.834  0.553  1.0
  Cr  Cr1  1  0.997  0.003  0.001  1.0
  Cr  Cr2  1  0.495  0.490  0.505  1.0
  C  C3  1  0.749  0.131  0.268  1.0
  C  C4  1  0.753  0.361  0.766  1.0
  C  C5  1  0.240  0.645  0.242  1.0
  C  C6  1  0.264  0.867  0.734  1.0
  O  O7  1  0.636  0.087  0.132  1.0
  O  O8  1  0.621  0.176  0.418  1.0
  O  O9  1  0.498  0.379  0.753  1.0
  O  O10  1  0.007  0.111  0.243  1.0
  O  O11  1  0.890  0.295  0.910  1.0
  O  O12  1  0.866  0.418  0.630  1.0
  O  O13  1  0.106  0.623  0.383  1.0
  O  O14  1  0.114  0.711  0.095  1.0
  O  O15  1  0.003  0.887  0.749  1.0
  O  O16  1  0.506  0.589  0.254  1.0
  O  O17  1  0.414  0.800  0.594  1.0
  O  O18  1  0.362  0.922  0.870  1.0
[/CIF]
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