###############################################################################

# Abrahams, S.C.;Bernstein, J.L. (1965)

# Acta Crystallographica (1,1948-23,1967) 18, 926-932
# Accuracy of an automatic diffractometer. Measurement of the sodium chloride \
# structure factors
#
# CIF by ICSD-for-WWW, Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################
data_18189-ICSD
_database_code_ICSD
18189
_audit_creation_date
1980-01-01
_chemical_name_systematic
'Sodium chloride'
_chemical_formula_structural
'Na Cl'
_chemical_formula_sum
'Cl1 Na1'
_publ_section_title
'Cl1 Na1'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica (1,1948-23,1967)' 1965 18 926 932 ACCRA9
loop_
_publ_author_name
Abrahams, S.C.;Bernstein, J.L.
_cell_length_a
5.62
_cell_length_b
5.62
_cell_length_c
5.62
_cell_angle_alpha
90.
_cell_angle_beta
90.
_cell_angle_gamma
90.
_cell_volume
177.501
_cell_formula_units_Z
4.000
_symmetry_space_group_name_H-M
'F m -3 m'
_symmetry_Int_Tables_number
225
_refine_ls_R_factor_all
0.0226
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x,y,z'
2 'x,1/2+y,1/2+z'
3 '1/2+x,y,1/2+z'
4 '1/2+x,1/2+y,z'
5 'x,-y,-z'
6 'x,1/2-y,1/2-z'
7 '1/2+x,-y,1/2-z'
8 '1/2+x,1/2-y,-z'
9 'x,-y,z'
10 'x,1/2-y,1/2+z'
11 '1/2+x,-y,1/2+z'
12 '1/2+x,1/2-y,z'
13 '-z,-y,x'

14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
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69
70
71
72
73

'-z,1/2-y,1/2+x'
'1/2-z,-y,1/2+x'
'1/2-z,1/2-y,x'
'z,-y,x'
'z,1/2-y,1/2+x'
'1/2+z,-y,1/2+x'
'1/2+z,1/2-y,x'
'-y,x,-z'
'-y,1/2+x,1/2-z'
'1/2-y,x,1/2-z'
'1/2-y,1/2+x,-z'
'-y,x,z'
'-y,1/2+x,1/2+z'
'1/2-y,x,1/2+z'
'1/2-y,1/2+x,z'
'-y,-z,x'
'-y,1/2-z,1/2+x'
'1/2-y,-z,1/2+x'
'1/2-y,1/2-z,x'
'-y,z,x'
'-y,1/2+z,1/2+x'
'1/2-y,z,1/2+x'
'1/2-y,1/2+z,x'
'x,-z,-y'
'x,1/2-z,1/2-y'
'1/2+x,-z,1/2-y'
'1/2+x,1/2-z,-y'
'x,-z,y'
'x,1/2-z,1/2+y'
'1/2+x,-z,1/2+y'
'1/2+x,1/2-z,y'
'x,z,-y'
'x,1/2+z,1/2-y'
'1/2+x,z,1/2-y'
'1/2+x,1/2+z,-y'
'x,z,y'
'x,1/2+z,1/2+y'
'1/2+x,z,1/2+y'
'1/2+x,1/2+z,y'
'-z,x,-y'
'-z,1/2+x,1/2-y'
'1/2-z,x,1/2-y'
'1/2-z,1/2+x,-y'
'-z,x,y'
'-z,1/2+x,1/2+y'
'1/2-z,x,1/2+y'
'1/2-z,1/2+x,y'
'z,x,-y'
'z,1/2+x,1/2-y'
'1/2+z,x,1/2-y'
'1/2+z,1/2+x,-y'
'z,x,y'
'z,1/2+x,1/2+y'
'1/2+z,x,1/2+y'
'1/2+z,1/2+x,y'
'y,x,-z'
'y,1/2+x,1/2-z'
'1/2+y,x,1/2-z'
'1/2+y,1/2+x,-z'
'y,x,z'

74 'y,1/2+x,1/2+z'
75 '1/2+y,x,1/2+z'
76 '1/2+y,1/2+x,z'
77 'y,-z,x'
78 'y,1/2-z,1/2+x'
79 '1/2+y,-z,1/2+x'
80 '1/2+y,1/2-z,x'
81 'y,z,x'
82 'y,1/2+z,1/2+x'
83 '1/2+y,z,1/2+x'
84 '1/2+y,1/2+z,x'
85 'x,y,-z'
86 'x,1/2+y,1/2-z'
87 '1/2+x,y,1/2-z'
88 '1/2+x,1/2+y,-z'
89 '-z,y,x'
90 '-z,1/2+y,1/2+x'
91 '1/2-z,y,1/2+x'
92 '1/2-z,1/2+y,x'
93 'z,y,x'
94 'z,1/2+y,1/2+x'
95 '1/2+z,y,1/2+x'
96 '1/2+z,1/2+y,x'
97 '-x,-y,-z'
98 '-x,1/2-y,1/2-z'
99 '1/2-x,-y,1/2-z'
100 '1/2-x,1/2-y,-z'
101 '-x,y,z'
102 '-x,1/2+y,1/2+z'
103 '1/2-x,y,1/2+z'
104 '1/2-x,1/2+y,z'
105 '-x,y,-z'
106 '-x,1/2+y,1/2-z'
107 '1/2-x,y,1/2-z'
108 '1/2-x,1/2+y,-z'
109 'z,y,-x'
110 'z,1/2+y,1/2-x'
111 '1/2+z,y,1/2-x'
112 '1/2+z,1/2+y,-x'
113 '-z,y,-x'
114 '-z,1/2+y,1/2-x'
115 '1/2-z,y,1/2-x'
116 '1/2-z,1/2+y,-x'
117 'y,-x,z'
118 'y,1/2-x,1/2+z'
119 '1/2+y,-x,1/2+z'
120 '1/2+y,1/2-x,z'
121 'y,-x,-z'
122 'y,1/2-x,1/2-z'
123 '1/2+y,-x,1/2-z'
124 '1/2+y,1/2-x,-z'
125 'y,z,-x'
126 'y,1/2+z,1/2-x'
127 '1/2+y,z,1/2-x'
128 '1/2+y,1/2+z,-x'
129 'y,-z,-x'
130 'y,1/2-z,1/2-x'
131 '1/2+y,-z,1/2-x'
132 '1/2+y,1/2-z,-x'
133 '-x,z,y'

134 '-x,1/2+z,1/2+y'
135 '1/2-x,z,1/2+y'
136 '1/2-x,1/2+z,y'
137 '-x,z,-y'
138 '-x,1/2+z,1/2-y'
139 '1/2-x,z,1/2-y'
140 '1/2-x,1/2+z,-y'
141 '-x,-z,y'
142 '-x,1/2-z,1/2+y'
143 '1/2-x,-z,1/2+y'
144 '1/2-x,1/2-z,y'
145 '-x,-z,-y'
146 '-x,1/2-z,1/2-y'
147 '1/2-x,-z,1/2-y'
148 '1/2-x,1/2-z,-y'
149 'z,-x,y'
150 'z,1/2-x,1/2+y'
151 '1/2+z,-x,1/2+y'
152 '1/2+z,1/2-x,y'
153 'z,-x,-y'
154 'z,1/2-x,1/2-y'
155 '1/2+z,-x,1/2-y'
156 '1/2+z,1/2-x,-y'
157 '-z,-x,y'
158 '-z,1/2-x,1/2+y'
159 '1/2-z,-x,1/2+y'
160 '1/2-z,1/2-x,y'
161 '-z,-x,-y'
162 '-z,1/2-x,1/2-y'
163 '1/2-z,-x,1/2-y'
164 '1/2-z,1/2-x,-y'
165 '-y,-x,z'
166 '-y,1/2-x,1/2+z'
167 '1/2-y,-x,1/2+z'
168 '1/2-y,1/2-x,z'
169 '-y,-x,-z'
170 '-y,1/2-x,1/2-z'
171 '1/2-y,-x,1/2-z'
172 '1/2-y,1/2-x,-z'
173 '-y,z,-x'
174 '-y,1/2+z,1/2-x'
175 '1/2-y,z,1/2-x'
176 '1/2-y,1/2+z,-x'
177 '-y,-z,-x'
178 '-y,1/2-z,1/2-x'
179 '1/2-y,-z,1/2-x'
180 '1/2-y,1/2-z,-x'
181 '-x,-y,z'
182 '-x,1/2-y,1/2+z'
183 '1/2-x,-y,1/2+z'
184 '1/2-x,1/2-y,z'
185 'z,-y,-x'
186 'z,1/2-y,1/2-x'
187 '1/2+z,-y,1/2-x'
188 '1/2+z,1/2-y,-x'
189 '-z,-y,-x'
190 '-z,1/2-y,1/2-x'
191 '1/2-z,-y,1/2-x'
192 '1/2-z,1/2-y,-x'
loop_

_atom_type_symbol
_atom_type_oxidation_number
Na1+
1.
Cl1-1.
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_B_iso_or_equiv
_atom_site_occupancy
Na1 Na1+ 4 a 0 0 0 1.689(24) 1.
Cl1 Cl1- 4 b 0.5 0.5 0.5 1.357(17) 1.
#End of data_18189-ICSD