The crystal structure described by KAlOCl2 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), three equivalent Cl(1), and four equivalent Cl(2) atoms. Al(1) is bonded to two equivalent O(1), one Cl(1), and one Cl(2) atom to form corner-sharing AlCl2O2 tetrahedra. O(1) is bonded in a linear geometry to one K(1) and two equivalent Al(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Al(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_KAlCl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.801
_cell_length_b   6.383
_cell_length_c   6.803
_cell_angle_alpha   84.621
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.787
_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
  K  K0  1  0.506  0.601  0.783  1.0
  K  K1  1  0.006  0.399  0.217  1.0
  Al  Al2  1  0.496  0.969  0.374  1.0
  Al  Al3  1  0.996  0.031  0.626  1.0
  Cl  Cl4  1  0.004  0.843  0.915  1.0
  Cl  Cl5  1  0.504  0.157  0.085  1.0
  Cl  Cl6  1  0.003  0.368  0.702  1.0
  Cl  Cl7  1  0.503  0.632  0.298  1.0
  O  O8  1  0.240  1.000  0.491  1.0
  O  O9  1  0.740  0.000  0.509  1.0
[/CIF]
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The crystal structure described by KAlOCl2 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), three equivalent Cl(1), and four equivalent Cl(2) atoms. Al(1) is bonded to two equivalent O(1), one Cl(1), and one Cl(2) atom to form corner-sharing AlCl2O2 tetrahedra. O(1) is bonded in a linear geometry to one K(1) and two equivalent Al(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Al(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_KAlCl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.801
_cell_length_b   6.383
_cell_length_c   6.803
_cell_angle_alpha   84.621
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.787
_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
  K  K0  1  0.506  0.601  0.783  1.0
  K  K1  1  0.006  0.399  0.217  1.0
  Al  Al2  1  0.496  0.969  0.374  1.0
  Al  Al3  1  0.996  0.031  0.626  1.0
  Cl  Cl4  1  0.004  0.843  0.915  1.0
  Cl  Cl5  1  0.504  0.157  0.085  1.0
  Cl  Cl6  1  0.003  0.368  0.702  1.0
  Cl  Cl7  1  0.503  0.632  0.298  1.0
  O  O8  1  0.240  1.000  0.491  1.0
  O  O9  1  0.740  0.000  0.509  1.0
[/CIF]
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