data_Faujasite
_audit_creation_method	'Created with CONVERT.DLL (www.crystalimpact.com)'
_audit_creation_date	2004-09-29
_audit_update_record	2004-09-29
_publ_author_name	'Bergerhoff,, G'
_publ_section_title
;
Ueber die Kristallstruktur des Faujasites
;
_chemical_formula_sum	'H10.96 Al1.2 Ca.225 Na.45 O13.48 Si2.8'
_chemical_name_mineral
;
Faujasite
;
_cell_length_a	24.7400
_cell_length_b	24.7400
_cell_length_c	24.7400
_cell_angle_alpha	90.000
_cell_angle_beta	90.000
_cell_angle_gamma	90.000
_cell_volume	15142.6
_symmetry_int_tables_number	227
_symmetry_space_group_name_H-M	'F d -3 m'
_symmetry_space_group_name_Hall	'-F_4vw_2vw_3'

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,0.250+x,0.250+z
3 0.250-x,0.250-y,z
4 0.250+y,-x,0.250+z
5 0.250+x,-z,0.250+y
6 x,0.250-y,0.250-z
7 0.250+x,0.250+z,-y
8 0.250+z,0.250+y,-x
9 0.250-x,y,0.250-z
10 -z,0.250+y,0.250+x
11 z,x,y
12 y,z,x
13 0.250-y,0.250-z,x
14 z,0.250-x,0.250-y
15 0.250-y,z,0.250-x
16 0.250-z,0.250-x,y
17 0.250-z,x,0.250-y
18 y,0.250-z,0.250-x
19 0.250+y,0.250+x,-z
20 -y,-x,-z
21 -x,0.250+z,0.250+y
22 -x,-z,-y
23 0.250+z,-y,0.250+x
24 -z,-y,-x
25 -x,-y,-z
26 y,0.250-x,0.250-z
27 0.250+x,0.250+y,-z
28 0.250-y,x,0.250-z
29 0.250-x,z,0.250-y
30 -x,0.250+y,0.250+z
31 0.250-x,0.250-z,y
32 0.250-z,0.250-y,x
33 0.250+x,-y,0.250+z
34 z,0.250-y,0.250-x
35 -z,-x,-y
36 -y,-z,-x
37 0.250+y,0.250+z,-x
38 -z,0.250+x,0.250+y
39 0.250+y,-z,0.250+x
40 0.250+z,0.250+x,-y
41 0.250+z,-x,0.250+y
42 -y,0.250+z,0.250+x
43 0.250-y,0.250-x,z
44 y,x,z
45 x,0.250-z,0.250-y
46 x,z,y
47 0.250-z,y,0.250-x
48 z,y,x
49 x,0.500+y,0.500+z
50 -y,0.750+x,0.750+z
51 0.250-x,0.750-y,0.500+z
52 0.250+y,0.500-x,0.750+z
53 0.250+x,0.500-z,0.750+y
54 x,0.750-y,0.750-z
55 0.250+x,0.750+z,0.500-y
56 0.250+z,0.750+y,0.500-x
57 0.250-x,0.500+y,0.750-z
58 -z,0.750+y,0.750+x
59 z,0.500+x,0.500+y
60 y,0.500+z,0.500+x
61 0.250-y,0.750-z,0.500+x
62 z,0.750-x,0.750-y
63 0.250-y,0.500+z,0.750-x
64 0.250-z,0.750-x,0.500+y
65 0.250-z,0.500+x,0.750-y
66 y,0.750-z,0.750-x
67 0.250+y,0.750+x,0.500-z
68 -y,0.500-x,0.500-z
69 -x,0.750+z,0.750+y
70 -x,0.500-z,0.500-y
71 0.250+z,0.500-y,0.750+x
72 -z,0.500-y,0.500-x
73 -x,0.500-y,0.500-z
74 y,0.750-x,0.750-z
75 0.250+x,0.750+y,0.500-z
76 0.250-y,0.500+x,0.750-z
77 0.250-x,0.500+z,0.750-y
78 -x,0.750+y,0.750+z
79 0.250-x,0.750-z,0.500+y
80 0.250-z,0.750-y,0.500+x
81 0.250+x,0.500-y,0.750+z
82 z,0.750-y,0.750-x
83 -z,0.500-x,0.500-y
84 -y,0.500-z,0.500-x
85 0.250+y,0.750+z,0.500-x
86 -z,0.750+x,0.750+y
87 0.250+y,0.500-z,0.750+x
88 0.250+z,0.750+x,0.500-y
89 0.250+z,0.500-x,0.750+y
90 -y,0.750+z,0.750+x
91 0.250-y,0.750-x,0.500+z
92 y,0.500+x,0.500+z
93 x,0.750-z,0.750-y
94 x,0.500+z,0.500+y
95 0.250-z,0.500+y,0.750-x
96 z,0.500+y,0.500+x
97 0.500+x,y,0.500+z
98 0.500-y,0.250+x,0.750+z
99 0.750-x,0.250-y,0.500+z
100 0.750+y,-x,0.750+z
101 0.750+x,-z,0.750+y
102 0.500+x,0.250-y,0.750-z
103 0.750+x,0.250+z,0.500-y
104 0.750+z,0.250+y,0.500-x
105 0.750-x,y,0.750-z
106 0.500-z,0.250+y,0.750+x
107 0.500+z,x,0.500+y
108 0.500+y,z,0.500+x
109 0.750-y,0.250-z,0.500+x
110 0.500+z,0.250-x,0.750-y
111 0.750-y,z,0.750-x
112 0.750-z,0.250-x,0.500+y
113 0.750-z,x,0.750-y
114 0.500+y,0.250-z,0.750-x
115 0.750+y,0.250+x,0.500-z
116 0.500-y,-x,0.500-z
117 0.500-x,0.250+z,0.750+y
118 0.500-x,-z,0.500-y
119 0.750+z,-y,0.750+x
120 0.500-z,-y,0.500-x
121 0.500-x,-y,0.500-z
122 0.500+y,0.250-x,0.750-z
123 0.750+x,0.250+y,0.500-z
124 0.750-y,x,0.750-z
125 0.750-x,z,0.750-y
126 0.500-x,0.250+y,0.750+z
127 0.750-x,0.250-z,0.500+y
128 0.750-z,0.250-y,0.500+x
129 0.750+x,-y,0.750+z
130 0.500+z,0.250-y,0.750-x
131 0.500-z,-x,0.500-y
132 0.500-y,-z,0.500-x
133 0.750+y,0.250+z,0.500-x
134 0.500-z,0.250+x,0.750+y
135 0.750+y,-z,0.750+x
136 0.750+z,0.250+x,0.500-y
137 0.750+z,-x,0.750+y
138 0.500-y,0.250+z,0.750+x
139 0.750-y,0.250-x,0.500+z
140 0.500+y,x,0.500+z
141 0.500+x,0.250-z,0.750-y
142 0.500+x,z,0.500+y
143 0.750-z,y,0.750-x
144 0.500+z,y,0.500+x
145 0.500+x,0.500+y,z
146 0.500-y,0.750+x,0.250+z
147 0.750-x,0.750-y,z
148 0.750+y,0.500-x,0.250+z
149 0.750+x,0.500-z,0.250+y
150 0.500+x,0.750-y,0.250-z
151 0.750+x,0.750+z,-y
152 0.750+z,0.750+y,-x
153 0.750-x,0.500+y,0.250-z
154 0.500-z,0.750+y,0.250+x
155 0.500+z,0.500+x,y
156 0.500+y,0.500+z,x
157 0.750-y,0.750-z,x
158 0.500+z,0.750-x,0.250-y
159 0.750-y,0.500+z,0.250-x
160 0.750-z,0.750-x,y
161 0.750-z,0.500+x,0.250-y
162 0.500+y,0.750-z,0.250-x
163 0.750+y,0.750+x,-z
164 0.500-y,0.500-x,-z
165 0.500-x,0.750+z,0.250+y
166 0.500-x,0.500-z,-y
167 0.750+z,0.500-y,0.250+x
168 0.500-z,0.500-y,-x
169 0.500-x,0.500-y,-z
170 0.500+y,0.750-x,0.250-z
171 0.750+x,0.750+y,-z
172 0.750-y,0.500+x,0.250-z
173 0.750-x,0.500+z,0.250-y
174 0.500-x,0.750+y,0.250+z
175 0.750-x,0.750-z,y
176 0.750-z,0.750-y,x
177 0.750+x,0.500-y,0.250+z
178 0.500+z,0.750-y,0.250-x
179 0.500-z,0.500-x,-y
180 0.500-y,0.500-z,-x
181 0.750+y,0.750+z,-x
182 0.500-z,0.750+x,0.250+y
183 0.750+y,0.500-z,0.250+x
184 0.750+z,0.750+x,-y
185 0.750+z,0.500-x,0.250+y
186 0.500-y,0.750+z,0.250+x
187 0.750-y,0.750-x,z
188 0.500+y,0.500+x,z
189 0.500+x,0.750-z,0.250-y
190 0.500+x,0.500+z,y
191 0.750-z,0.500+y,0.250-x
192 0.500+z,0.500+y,x

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Si+0	4.000	0.260
Al+0	3.000	0.390
O+0	-2.000	1.210
Na+0	1.000	0.970
Ca+0	2.000	0.990
H+0	1.000	-0.380
?	?	1.200


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
Si1 Si+0  0.1250  0.9480  0.0350  0.700 192 i ? d ? ?
Al1 Al+0  0.1250  0.9480  0.0350  0.300 192 i ? d ? ?
O1 O+0  0.1740  0.1740  0.9670  1.000 96 g ? d ? ?
O2 O+0  0.1750  0.1750  0.3250  1.000 96 g ? d ? ?
O3 O+0  0.2500  0.2500  0.1370  1.000 96 g ? d ? ?
O4 O+0  0.0000  0.1040  0.8960  1.000 96 h ? d ? ?
Na1 Na+0  0.0730  0.0730  0.0730  0.338 32 e ? d ? ?
Ca1 Ca+0  0.0730  0.0730  0.0730  0.169 32 e ? d ? ?
Na2 Na+0  0.1700  0.1700  0.1700  0.338 32 e ? d ? ?
Ca2 Ca+0  0.1700  0.1700  0.1700  0.169 32 e ? d ? ?
O5 O+0 ? ? ?  1.370 ? ? ? d ? ?
H1 H+0 ? ? ?  2.740 ? ? ? d ? ?
Dummy ?  0.1250  1.1250  0.1250 ? 8 a ? d ? ?
Dummy1 ?  0.2500  1.0000  0.2500 ? 16 c ? d ? ?

