The material structure described by Li2CrCSO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. Cr(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. S(1) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cr(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Li(1), one Cr(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CrCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.130
_cell_length_b   6.446
_cell_length_c   8.989
_cell_angle_alpha   90.000
_cell_angle_beta   92.438
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   296.966
_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  0.723  0.750  0.938  1.0
  C  C1  1  0.277  0.250  0.062  1.0
  Cr  Cr2  1  0.762  0.750  0.639  1.0
  Cr  Cr3  1  0.238  0.250  0.361  1.0
  Li  Li4  1  0.217  0.975  0.819  1.0
  Li  Li5  1  0.217  0.525  0.819  1.0
  Li  Li6  1  0.783  0.475  0.181  1.0
  Li  Li7  1  0.783  0.025  0.181  1.0
  O  O8  1  0.251  0.250  0.920  1.0
  O  O9  1  0.749  0.750  0.080  1.0
  O  O10  1  0.933  0.750  0.856  1.0
  O  O11  1  0.067  0.250  0.144  1.0
  O  O12  1  0.498  0.750  0.866  1.0
  O  O13  1  0.502  0.250  0.134  1.0
  O  O14  1  0.214  0.750  0.581  1.0
  O  O15  1  0.786  0.250  0.419  1.0
  O  O16  1  0.414  0.250  0.576  1.0
  O  O17  1  0.586  0.750  0.424  1.0
  O  O18  1  0.811  0.067  0.659  1.0
  O  O19  1  0.811  0.433  0.659  1.0
  O  O20  1  0.189  0.567  0.341  1.0
  O  O21  1  0.189  0.934  0.341  1.0
  S  S22  1  0.707  0.250  0.576  1.0
  S  S23  1  0.293  0.750  0.424  1.0
[/CIF]
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The material structure described by Li2CrCSO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. Cr(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. S(1) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cr(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Li(1), one Cr(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CrCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.130
_cell_length_b   6.446
_cell_length_c   8.989
_cell_angle_alpha   90.000
_cell_angle_beta   92.438
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   296.966
_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  0.723  0.750  0.938  1.0
  C  C1  1  0.277  0.250  0.062  1.0
  Cr  Cr2  1  0.762  0.750  0.639  1.0
  Cr  Cr3  1  0.238  0.250  0.361  1.0
  Li  Li4  1  0.217  0.975  0.819  1.0
  Li  Li5  1  0.217  0.525  0.819  1.0
  Li  Li6  1  0.783  0.475  0.181  1.0
  Li  Li7  1  0.783  0.025  0.181  1.0
  O  O8  1  0.251  0.250  0.920  1.0
  O  O9  1  0.749  0.750  0.080  1.0
  O  O10  1  0.933  0.750  0.856  1.0
  O  O11  1  0.067  0.250  0.144  1.0
  O  O12  1  0.498  0.750  0.866  1.0
  O  O13  1  0.502  0.250  0.134  1.0
  O  O14  1  0.214  0.750  0.581  1.0
  O  O15  1  0.786  0.250  0.419  1.0
  O  O16  1  0.414  0.250  0.576  1.0
  O  O17  1  0.586  0.750  0.424  1.0
  O  O18  1  0.811  0.067  0.659  1.0
  O  O19  1  0.811  0.433  0.659  1.0
  O  O20  1  0.189  0.567  0.341  1.0
  O  O21  1  0.189  0.934  0.341  1.0
  S  S22  1  0.707  0.250  0.576  1.0
  S  S23  1  0.293  0.750  0.424  1.0
[/CIF]
.