The compound described by KAlCH2O5 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(1) atoms to form edge-sharing AlO6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(2) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent Al(1), and one H(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 single-bond geometry to two equivalent K(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAlH2CO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.815
_cell_length_b   6.815
_cell_length_c   5.722
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.409
_symmetry_Int_Tables_number   1
_cell_volume   221.836
_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  0.653  0.347  0.750  1.0
  K  K1  1  0.347  0.653  0.250  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.364  0.198  0.250  1.0
  H  H5  1  0.198  0.364  0.750  1.0
  H  H6  1  0.636  0.802  0.750  1.0
  H  H7  1  0.802  0.636  0.250  1.0
  C  C8  1  0.788  0.212  0.250  1.0
  C  C9  1  0.212  0.788  0.750  1.0
  O  O10  1  0.819  0.789  0.250  1.0
  O  O11  1  0.789  0.819  0.750  1.0
  O  O12  1  0.181  0.211  0.750  1.0
  O  O13  1  0.211  0.181  0.250  1.0
  O  O14  1  0.842  0.158  0.448  1.0
  O  O15  1  0.158  0.842  0.552  1.0
  O  O16  1  0.842  0.158  0.052  1.0
  O  O17  1  0.158  0.842  0.948  1.0
  O  O18  1  0.681  0.319  0.250  1.0
  O  O19  1  0.319  0.681  0.750  1.0
[/CIF]
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The compound described by KAlCH2O5 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(1) atoms to form edge-sharing AlO6 octahedra. C(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(2) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent Al(1), and one H(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 single-bond geometry to two equivalent K(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KAlH2CO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.815
_cell_length_b   6.815
_cell_length_c   5.722
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   123.409
_symmetry_Int_Tables_number   1
_cell_volume   221.836
_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  0.653  0.347  0.750  1.0
  K  K1  1  0.347  0.653  0.250  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.364  0.198  0.250  1.0
  H  H5  1  0.198  0.364  0.750  1.0
  H  H6  1  0.636  0.802  0.750  1.0
  H  H7  1  0.802  0.636  0.250  1.0
  C  C8  1  0.788  0.212  0.250  1.0
  C  C9  1  0.212  0.788  0.750  1.0
  O  O10  1  0.819  0.789  0.250  1.0
  O  O11  1  0.789  0.819  0.750  1.0
  O  O12  1  0.181  0.211  0.750  1.0
  O  O13  1  0.211  0.181  0.250  1.0
  O  O14  1  0.842  0.158  0.448  1.0
  O  O15  1  0.158  0.842  0.552  1.0
  O  O16  1  0.842  0.158  0.052  1.0
  O  O17  1  0.158  0.842  0.948  1.0
  O  O18  1  0.681  0.319  0.250  1.0
  O  O19  1  0.319  0.681  0.750  1.0
[/CIF]
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