The material described by K4Al3Si3O12Cl crystallizes in the cubic P-43n space group. K(1) is bonded in a 7-coordinate geometry to six equivalent O(1) and one Cl(1) atom. Al(1) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Al(1), and one Si(1) atom. Cl(1) is bonded in a tetrahedral geometry to four equivalent K(1) atoms. is represented by the CIF file [CIF]
data_K4Al3Si3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.370
_cell_length_b   9.370
_cell_length_c   9.370
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   822.655
_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  0.314  0.314  0.686  1.0
  K  K1  1  0.814  0.814  0.186  1.0
  K  K2  1  0.686  0.314  0.314  1.0
  K  K3  1  0.814  0.186  0.814  1.0
  K  K4  1  0.314  0.686  0.314  1.0
  K  K5  1  0.186  0.186  0.186  1.0
  K  K6  1  0.686  0.686  0.686  1.0
  K  K7  1  0.186  0.814  0.814  1.0
  Al  Al8  1  0.250  0.500  0.000  1.0
  Al  Al9  1  0.500  0.000  0.750  1.0
  Al  Al10  1  0.500  0.000  0.250  1.0
  Al  Al11  1  0.000  0.250  0.500  1.0
  Al  Al12  1  0.000  0.750  0.500  1.0
  Al  Al13  1  0.750  0.500  0.000  1.0
  Si  Si14  1  0.750  0.000  0.500  1.0
  Si  Si15  1  0.000  0.500  0.750  1.0
  Si  Si16  1  0.000  0.500  0.250  1.0
  Si  Si17  1  0.500  0.250  0.000  1.0
  Si  Si18  1  0.250  0.000  0.500  1.0
  Si  Si19  1  0.500  0.750  0.000  1.0
  Cl  Cl20  1  0.500  0.500  0.500  1.0
  Cl  Cl21  1  0.000  0.000  0.000  1.0
  O  O22  1  0.654  0.979  0.644  1.0
  O  O23  1  0.654  0.021  0.356  1.0
  O  O24  1  0.979  0.644  0.654  1.0
  O  O25  1  0.021  0.644  0.346  1.0
  O  O26  1  0.644  0.654  0.979  1.0
  O  O27  1  0.356  0.346  0.979  1.0
  O  O28  1  0.846  0.856  0.479  1.0
  O  O29  1  0.846  0.144  0.521  1.0
  O  O30  1  0.154  0.856  0.521  1.0
  O  O31  1  0.144  0.521  0.846  1.0
  O  O32  1  0.521  0.154  0.856  1.0
  O  O33  1  0.521  0.846  0.144  1.0
  O  O34  1  0.856  0.479  0.846  1.0
  O  O35  1  0.479  0.846  0.856  1.0
  O  O36  1  0.856  0.521  0.154  1.0
  O  O37  1  0.144  0.479  0.154  1.0
  O  O38  1  0.479  0.154  0.144  1.0
  O  O39  1  0.356  0.654  0.021  1.0
  O  O40  1  0.644  0.346  0.021  1.0
  O  O41  1  0.979  0.356  0.346  1.0
  O  O42  1  0.021  0.356  0.654  1.0
  O  O43  1  0.346  0.021  0.644  1.0
  O  O44  1  0.154  0.144  0.479  1.0
  O  O45  1  0.346  0.979  0.356  1.0
[/CIF]
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The material described by K4Al3Si3O12Cl crystallizes in the cubic P-43n space group. K(1) is bonded in a 7-coordinate geometry to six equivalent O(1) and one Cl(1) atom. Al(1) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Al(1), and one Si(1) atom. Cl(1) is bonded in a tetrahedral geometry to four equivalent K(1) atoms. is represented by the CIF file [CIF]
data_K4Al3Si3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.370
_cell_length_b   9.370
_cell_length_c   9.370
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   822.655
_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  0.314  0.314  0.686  1.0
  K  K1  1  0.814  0.814  0.186  1.0
  K  K2  1  0.686  0.314  0.314  1.0
  K  K3  1  0.814  0.186  0.814  1.0
  K  K4  1  0.314  0.686  0.314  1.0
  K  K5  1  0.186  0.186  0.186  1.0
  K  K6  1  0.686  0.686  0.686  1.0
  K  K7  1  0.186  0.814  0.814  1.0
  Al  Al8  1  0.250  0.500  0.000  1.0
  Al  Al9  1  0.500  0.000  0.750  1.0
  Al  Al10  1  0.500  0.000  0.250  1.0
  Al  Al11  1  0.000  0.250  0.500  1.0
  Al  Al12  1  0.000  0.750  0.500  1.0
  Al  Al13  1  0.750  0.500  0.000  1.0
  Si  Si14  1  0.750  0.000  0.500  1.0
  Si  Si15  1  0.000  0.500  0.750  1.0
  Si  Si16  1  0.000  0.500  0.250  1.0
  Si  Si17  1  0.500  0.250  0.000  1.0
  Si  Si18  1  0.250  0.000  0.500  1.0
  Si  Si19  1  0.500  0.750  0.000  1.0
  Cl  Cl20  1  0.500  0.500  0.500  1.0
  Cl  Cl21  1  0.000  0.000  0.000  1.0
  O  O22  1  0.654  0.979  0.644  1.0
  O  O23  1  0.654  0.021  0.356  1.0
  O  O24  1  0.979  0.644  0.654  1.0
  O  O25  1  0.021  0.644  0.346  1.0
  O  O26  1  0.644  0.654  0.979  1.0
  O  O27  1  0.356  0.346  0.979  1.0
  O  O28  1  0.846  0.856  0.479  1.0
  O  O29  1  0.846  0.144  0.521  1.0
  O  O30  1  0.154  0.856  0.521  1.0
  O  O31  1  0.144  0.521  0.846  1.0
  O  O32  1  0.521  0.154  0.856  1.0
  O  O33  1  0.521  0.846  0.144  1.0
  O  O34  1  0.856  0.479  0.846  1.0
  O  O35  1  0.479  0.846  0.856  1.0
  O  O36  1  0.856  0.521  0.154  1.0
  O  O37  1  0.144  0.479  0.154  1.0
  O  O38  1  0.479  0.154  0.144  1.0
  O  O39  1  0.356  0.654  0.021  1.0
  O  O40  1  0.644  0.346  0.021  1.0
  O  O41  1  0.979  0.356  0.346  1.0
  O  O42  1  0.021  0.356  0.654  1.0
  O  O43  1  0.346  0.021  0.644  1.0
  O  O44  1  0.154  0.144  0.479  1.0
  O  O45  1  0.346  0.979  0.356  1.0
[/CIF]
.