The crystal structure described by Li3SiCSbO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Sb(1)O5 square pyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(1) is bonded to one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted SbO5 square pyramids that share corners with four equivalent Si(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one C(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Si(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Si(1), and one Sb(1) atom to form distorted corner-sharing OLi2SiSb tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Si(1), and one Sb(1) atom to form distorted corner-sharing OLi2SiSb trigonal pyramids. is represented by the CIF card [CIF]
data_Li3SiSbCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.872
_cell_length_b   5.045
_cell_length_c   9.073
_cell_angle_alpha   86.652
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.982
_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  0.250  0.833  0.920  1.0
  Li  Li1  1  0.052  0.224  0.717  1.0
  Li  Li2  1  0.448  0.224  0.717  1.0
  Li  Li3  1  0.552  0.776  0.283  1.0
  Li  Li4  1  0.948  0.776  0.283  1.0
  Li  Li5  1  0.750  0.167  0.080  1.0
  Si  Si6  1  0.250  0.730  0.595  1.0
  Si  Si7  1  0.750  0.270  0.405  1.0
  Sb  Sb8  1  0.750  0.753  0.661  1.0
  Sb  Sb9  1  0.250  0.247  0.339  1.0
  C  C10  1  0.750  0.709  0.979  1.0
  C  C11  1  0.250  0.291  0.021  1.0
  O  O12  1  0.250  0.235  0.883  1.0
  O  O13  1  0.750  0.915  0.882  1.0
  O  O14  1  0.750  0.471  0.937  1.0
  O  O15  1  0.063  0.837  0.689  1.0
  O  O16  1  0.437  0.837  0.689  1.0
  O  O17  1  0.250  0.406  0.587  1.0
  O  O18  1  0.750  0.145  0.581  1.0
  O  O19  1  0.250  0.855  0.419  1.0
  O  O20  1  0.750  0.594  0.413  1.0
  O  O21  1  0.563  0.163  0.311  1.0
  O  O22  1  0.937  0.163  0.311  1.0
  O  O23  1  0.250  0.529  0.063  1.0
  O  O24  1  0.250  0.085  0.118  1.0
  O  O25  1  0.750  0.765  0.117  1.0
[/CIF]
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The crystal structure described by Li3SiCSbO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Sb(1)O5 square pyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(1) is bonded to one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted SbO5 square pyramids that share corners with four equivalent Si(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one C(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Si(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Si(1), and one Sb(1) atom to form distorted corner-sharing OLi2SiSb tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Si(1), and one Sb(1) atom to form distorted corner-sharing OLi2SiSb trigonal pyramids. is represented by the CIF card [CIF]
data_Li3SiSbCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.872
_cell_length_b   5.045
_cell_length_c   9.073
_cell_angle_alpha   86.652
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.982
_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  0.250  0.833  0.920  1.0
  Li  Li1  1  0.052  0.224  0.717  1.0
  Li  Li2  1  0.448  0.224  0.717  1.0
  Li  Li3  1  0.552  0.776  0.283  1.0
  Li  Li4  1  0.948  0.776  0.283  1.0
  Li  Li5  1  0.750  0.167  0.080  1.0
  Si  Si6  1  0.250  0.730  0.595  1.0
  Si  Si7  1  0.750  0.270  0.405  1.0
  Sb  Sb8  1  0.750  0.753  0.661  1.0
  Sb  Sb9  1  0.250  0.247  0.339  1.0
  C  C10  1  0.750  0.709  0.979  1.0
  C  C11  1  0.250  0.291  0.021  1.0
  O  O12  1  0.250  0.235  0.883  1.0
  O  O13  1  0.750  0.915  0.882  1.0
  O  O14  1  0.750  0.471  0.937  1.0
  O  O15  1  0.063  0.837  0.689  1.0
  O  O16  1  0.437  0.837  0.689  1.0
  O  O17  1  0.250  0.406  0.587  1.0
  O  O18  1  0.750  0.145  0.581  1.0
  O  O19  1  0.250  0.855  0.419  1.0
  O  O20  1  0.750  0.594  0.413  1.0
  O  O21  1  0.563  0.163  0.311  1.0
  O  O22  1  0.937  0.163  0.311  1.0
  O  O23  1  0.250  0.529  0.063  1.0
  O  O24  1  0.250  0.085  0.118  1.0
  O  O25  1  0.750  0.765  0.117  1.0
[/CIF]
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