data_Zeolite_A_(H2O)24
_chemical_name_systematic
;
Pentazinc Disodium Tecto-dodecaalumododecasilicate Tetracosahydrate
;
_chemical_formula_structural       'Zn5 Na2 (Si12 Al12 O48) (H2 O)24'
_chemical_formula_sum              'H48 Al12 Na2 O72 Si12 Zn5'
_chemical_name_mineral             'Zeolite A (Zn-exchanged)'
_cell_length_a                     12.196(2)
_cell_length_b                     12.196(2)
_cell_length_c                     12.196(2)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       1814.06
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P m -3 m'
_symmetry_Int_Tables_number        221
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'z, y, -x'
  2	'y, x, -z'
  3	'x, z, -y'
  4	'z, x, -y'
  5	'y, z, -x'
  6	'x, y, -z'
  7	'z, -y, x'
  8	'y, -x, z'
  9	'x, -z, y'
 10	'z, -x, y'
 11	'y, -z, x'
 12	'x, -y, z'
 13	'-z, y, x'
 14	'-y, x, z'
 15	'-x, z, y'
 16	'-z, x, y'
 17	'-y, z, x'
 18	'-x, y, z'
 19	'-z, -y, -x'
 20	'-y, -x, -z'
 21	'-x, -z, -y'
 22	'-z, -x, -y'
 23	'-y, -z, -x'
 24	'-x, -y, -z'
 25	'-z, -y, x'
 26	'-y, -x, z'
 27	'-x, -z, y'
 28	'-z, -x, y'
 29	'-y, -z, x'
 30	'-x, -y, z'
 31	'-z, y, -x'
 32	'-y, x, -z'
 33	'-x, z, -y'
 34	'-z, x, -y'
 35	'-y, z, -x'
 36	'-x, y, -z'
 37	'z, -y, -x'
 38	'y, -x, -z'
 39	'x, -z, -y'
 40	'z, -x, -y'
 41	'y, -z, -x'
 42	'x, -y, -z'
 43	'z, y, x'
 44	'y, x, z'
 45	'x, z, y'
 46	'z, x, y'
 47	'y, z, x'
 48	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+	3
H1+	1
Na1+	1
O2-	-2
Si4+	4
Zn2+	2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
Si1 Si4+ 24 k 0 0.1827(3) 0.3683(2) 0.5 0 0 
Al1 Al3+ 24 k 0 0.1827(3) 0.3683(2) 0.5 0 0 
O1 O2- 12 h 0 0.2121(16) 0.5 1. 0 0 
O2 O2- 12 i 0 0.2970(8) 0.2970(8) 1. 0 0 
O3 O2- 24 m 0.1119(11) 0.1119(11) 0.3317(12) 1. 0 0 
Zn1 Zn2+ 8 g 0.2101(4) 0.2101(4) 0.2101(4) 0.375 0 0 
Zn2 Zn2+ 1 a 0 0 0 1. 0 3.6 
Zn3 Zn2+ 6 f 0.214(10) 0.5 0.5 0.1667 0 14.9 
Na1 Na1+ 12 i 0 0.437(13) 0.437(13) 0.1667 0 14.6 
O4 O2- 8 g 0.3136(56) 0.3136(56) 0.3136(56) 0.375 0 5.8 
O5 O2- 8 g 0.2791(38) 0.2791(38) 0.2791(38) 0.625 0 7.1 
O6 O2- 24 m 0.0732(35) 0.1110(22) 0.1110(22) 0.25 0 3. 
O7 O2- 24 l 0.2006(64) 0.3707(61) 0.5 0.1667 0 3. 
O8 O2- 6 f 0.0354(65) 0.5 0.5 0.1667 0 0.1 
O9 O2- 24 l 0.2524(76) 0.3208(80) 0.5 0.1667 0 4.2 
O10 O2- 6 f 0.357(21) 0.5 0.5 0.1667 0 6.2 


