The material described by LiSiCSbO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. Si(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-48°. 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(3), one O(4), one O(5), one O(6), and one O(7) atom to form SbO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) 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 distorted trigonal planar geometry to one Li(1), one C(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Si(1) and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Si(1) and one Sb(1) atom. is represented by the CIF card [CIF]
data_LiSiSbCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.464
_cell_length_b   5.217
_cell_length_c   9.020
_cell_angle_alpha   86.186
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.531
_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  0.509  0.771  0.801  1.0
  Li  Li1  1  0.009  0.229  0.199  1.0
  Si  Si2  1  0.750  0.275  0.570  1.0
  Si  Si3  1  0.250  0.725  0.430  1.0
  Sb  Sb4  1  0.246  0.202  0.660  1.0
  Sb  Sb5  1  0.746  0.798  0.340  1.0
  C  C6  1  0.252  0.276  0.933  1.0
  C  C7  1  0.752  0.724  0.067  1.0
  O  O8  1  0.725  0.686  0.936  1.0
  O  O9  1  0.254  0.044  0.876  1.0
  O  O10  1  0.275  0.465  0.824  1.0
  O  O11  1  0.946  0.202  0.678  1.0
  O  O12  1  0.552  0.173  0.670  1.0
  O  O13  1  0.258  0.855  0.590  1.0
  O  O14  1  0.736  0.589  0.529  1.0
  O  O15  1  0.236  0.411  0.471  1.0
  O  O16  1  0.758  0.145  0.410  1.0
  O  O17  1  0.052  0.827  0.330  1.0
  O  O18  1  0.446  0.798  0.322  1.0
  O  O19  1  0.775  0.535  0.176  1.0
  O  O20  1  0.754  0.956  0.124  1.0
  O  O21  1  0.225  0.314  0.064  1.0
[/CIF]
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The material described by LiSiCSbO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. Si(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-48°. 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(3), one O(4), one O(5), one O(6), and one O(7) atom to form SbO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) 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 distorted trigonal planar geometry to one Li(1), one C(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Si(1) and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Si(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Si(1) and one Sb(1) atom. is represented by the CIF card [CIF]
data_LiSiSbCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.464
_cell_length_b   5.217
_cell_length_c   9.020
_cell_angle_alpha   86.186
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.531
_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  0.509  0.771  0.801  1.0
  Li  Li1  1  0.009  0.229  0.199  1.0
  Si  Si2  1  0.750  0.275  0.570  1.0
  Si  Si3  1  0.250  0.725  0.430  1.0
  Sb  Sb4  1  0.246  0.202  0.660  1.0
  Sb  Sb5  1  0.746  0.798  0.340  1.0
  C  C6  1  0.252  0.276  0.933  1.0
  C  C7  1  0.752  0.724  0.067  1.0
  O  O8  1  0.725  0.686  0.936  1.0
  O  O9  1  0.254  0.044  0.876  1.0
  O  O10  1  0.275  0.465  0.824  1.0
  O  O11  1  0.946  0.202  0.678  1.0
  O  O12  1  0.552  0.173  0.670  1.0
  O  O13  1  0.258  0.855  0.590  1.0
  O  O14  1  0.736  0.589  0.529  1.0
  O  O15  1  0.236  0.411  0.471  1.0
  O  O16  1  0.758  0.145  0.410  1.0
  O  O17  1  0.052  0.827  0.330  1.0
  O  O18  1  0.446  0.798  0.322  1.0
  O  O19  1  0.775  0.535  0.176  1.0
  O  O20  1  0.754  0.956  0.124  1.0
  O  O21  1  0.225  0.314  0.064  1.0
[/CIF]
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