The crystal structure described by KAlCO5 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing AlO6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent K(1) and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one Al(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one K(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAlCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.811
_cell_length_b   6.811
_cell_length_c   5.929
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.736
_symmetry_Int_Tables_number   1
_cell_volume   236.410
_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  0.354  0.646  0.250  1.0
  K  K1  1  0.646  0.354  0.750  1.0
  Al  Al2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.000  0.000  0.500  1.0
  C  C4  1  0.783  0.217  0.250  1.0
  C  C5  1  0.217  0.783  0.750  1.0
  O  O6  1  0.676  0.324  0.250  1.0
  O  O7  1  0.324  0.676  0.750  1.0
  O  O8  1  0.836  0.164  0.056  1.0
  O  O9  1  0.164  0.836  0.944  1.0
  O  O10  1  0.164  0.836  0.556  1.0
  O  O11  1  0.836  0.164  0.444  1.0
  O  O12  1  0.857  0.818  0.250  1.0
  O  O13  1  0.143  0.182  0.750  1.0
  O  O14  1  0.182  0.143  0.250  1.0
  O  O15  1  0.818  0.857  0.750  1.0
[/CIF]
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The crystal structure described by KAlCO5 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing AlO6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent K(1) and one C(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one Al(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one K(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAlCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.811
_cell_length_b   6.811
_cell_length_c   5.929
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.736
_symmetry_Int_Tables_number   1
_cell_volume   236.410
_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  0.354  0.646  0.250  1.0
  K  K1  1  0.646  0.354  0.750  1.0
  Al  Al2  1  0.000  0.000  0.000  1.0
  Al  Al3  1  0.000  0.000  0.500  1.0
  C  C4  1  0.783  0.217  0.250  1.0
  C  C5  1  0.217  0.783  0.750  1.0
  O  O6  1  0.676  0.324  0.250  1.0
  O  O7  1  0.324  0.676  0.750  1.0
  O  O8  1  0.836  0.164  0.056  1.0
  O  O9  1  0.164  0.836  0.944  1.0
  O  O10  1  0.164  0.836  0.556  1.0
  O  O11  1  0.836  0.164  0.444  1.0
  O  O12  1  0.857  0.818  0.250  1.0
  O  O13  1  0.143  0.182  0.750  1.0
  O  O14  1  0.182  0.143  0.250  1.0
  O  O15  1  0.818  0.857  0.750  1.0
[/CIF]
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