The structure described by LiSc2Al2(CO)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent Sc(1) and two equivalent C(1) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted square co-planar geometry to two equivalent Li(1) and two equivalent C(1) atoms. In the second Sc site, Sc(2) is bonded to six equivalent O(1) atoms to form distorted edge-sharing ScO6 octahedra. Al(1) is bonded in a 4-coordinate geometry to three equivalent C(1) and one O(1) atom. C(1) is bonded in a 5-coordinate geometry to one Li(1), one Sc(1), and three equivalent Al(1) atoms. O(1) is bonded to three equivalent Sc(2) and one Al(1) atom to form a mixture of corner and edge-sharing OSc3Al tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSc2Al2(CO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.272
_cell_length_b   10.272
_cell_length_c   10.217
_cell_angle_alpha   18.912
_cell_angle_beta   18.912
_cell_angle_gamma   20.824
_symmetry_Int_Tables_number   1
_cell_volume   104.844
_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  0.500  0.500  0.000  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  Sc  Sc2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.737  0.737  0.752  1.0
  Al  Al4  1  0.263  0.263  0.248  1.0
  C  C5  1  0.628  0.628  0.580  1.0
  C  C6  1  0.372  0.372  0.420  1.0
  O  O7  1  0.194  0.194  0.206  1.0
  O  O8  1  0.806  0.806  0.794  1.0
[/CIF]
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The structure described by LiSc2Al2(CO)2 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent Sc(1) and two equivalent C(1) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted square co-planar geometry to two equivalent Li(1) and two equivalent C(1) atoms. In the second Sc site, Sc(2) is bonded to six equivalent O(1) atoms to form distorted edge-sharing ScO6 octahedra. Al(1) is bonded in a 4-coordinate geometry to three equivalent C(1) and one O(1) atom. C(1) is bonded in a 5-coordinate geometry to one Li(1), one Sc(1), and three equivalent Al(1) atoms. O(1) is bonded to three equivalent Sc(2) and one Al(1) atom to form a mixture of corner and edge-sharing OSc3Al tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSc2Al2(CO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.272
_cell_length_b   10.272
_cell_length_c   10.217
_cell_angle_alpha   18.912
_cell_angle_beta   18.912
_cell_angle_gamma   20.824
_symmetry_Int_Tables_number   1
_cell_volume   104.844
_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  0.500  0.500  0.000  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  Sc  Sc2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.737  0.737  0.752  1.0
  Al  Al4  1  0.263  0.263  0.248  1.0
  C  C5  1  0.628  0.628  0.580  1.0
  C  C6  1  0.372  0.372  0.420  1.0
  O  O7  1  0.194  0.194  0.206  1.0
  O  O8  1  0.806  0.806  0.794  1.0
[/CIF]
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