The compound described by Li3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Li(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. O(1) is bonded to six equivalent Li(1) atoms to form OLi6 octahedra that share corners with six equivalent O(1)Li6 octahedra and faces with eight equivalent Cl(1)Li12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to twelve equivalent Li(1) atoms to form ClLi12 cuboctahedra that share corners with twelve equivalent Cl(1)Li12 cuboctahedra, faces with six equivalent Cl(1)Li12 cuboctahedra, and faces with eight equivalent O(1)Li6 octahedra. is represented by the CIF card [CIF]
data_Li3ClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.908
_cell_length_b   3.908
_cell_length_c   3.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   59.700
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Cl  Cl3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Li3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Li(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. O(1) is bonded to six equivalent Li(1) atoms to form OLi6 octahedra that share corners with six equivalent O(1)Li6 octahedra and faces with eight equivalent Cl(1)Li12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to twelve equivalent Li(1) atoms to form ClLi12 cuboctahedra that share corners with twelve equivalent Cl(1)Li12 cuboctahedra, faces with six equivalent Cl(1)Li12 cuboctahedra, and faces with eight equivalent O(1)Li6 octahedra. is represented by the CIF card [CIF]
data_Li3ClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.908
_cell_length_b   3.908
_cell_length_c   3.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   59.700
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Cl  Cl3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.500  0.500  0.500  1.0
[/CIF]
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