# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Fluorite'
_chemical_formula_sum 'Ca F2'
 
loop_
_publ_author_name
 'S. Speziale'
 'T. S. Duffy'
_journal_name_full
;
Physics and Chemistry of Minerals
;
_journal_volume 29
_journal_year 2002
_journal_page_first 465
_journal_page_last 472
_publ_Section_title
;
 Single-crystal elastic constants of fluorite (CaF$_2$) to 9.3 GPa
;

# Found in  AMS Database

_aflow_proto 'AB2_cF12_225_a_c' 
_aflow_params 'a' 
_aflow_params_values '5.4631' 
_aflow_Strukturbericht 'C1' 
_aflow_Pearson 'cF12' 

_symmetry_space_group_name_Hall "-F 4 2 3"
_symmetry_space_group_name_H-M "F m -3 m"
_symmetry_Int_Tables_number 225

_cell_length_a    5.46310
_cell_length_b    5.46310
_cell_length_c    5.46310
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 y,z,x
6 y,-z,-x
7 -y,z,-x
8 -y,-z,x
9 z,x,y
10 z,-x,-y
11 -z,x,-y
12 -z,-x,y
13 -y,-x,-z
14 -y,x,z
15 y,-x,z
16 y,x,-z
17 -x,-z,-y
18 -x,z,y
19 x,-z,y
20 x,z,-y
21 -z,-y,-x
22 -z,y,x
23 z,-y,x
24 z,y,-x
25 -x,-y,-z
26 -x,y,z
27 x,-y,z
28 x,y,-z
29 -y,-z,-x
30 -y,z,x
31 y,-z,x
32 y,z,-x
33 -z,-x,-y
34 -z,x,y
35 z,-x,y
36 z,x,-y
37 y,x,z
38 y,-x,-z
39 -y,x,-z
40 -y,-x,z
41 x,z,y
42 x,-z,-y
43 -x,z,-y
44 -x,-z,y
45 z,y,x
46 z,-y,-x
47 -z,y,-x
48 -z,-y,x
49 x,y+1/2,z+1/2
50 x,-y+1/2,-z+1/2
51 -x,y+1/2,-z+1/2
52 -x,-y+1/2,z+1/2
53 y,z+1/2,x+1/2
54 y,-z+1/2,-x+1/2
55 -y,z+1/2,-x+1/2
56 -y,-z+1/2,x+1/2
57 z,x+1/2,y+1/2
58 z,-x+1/2,-y+1/2
59 -z,x+1/2,-y+1/2
60 -z,-x+1/2,y+1/2
61 -y,-x+1/2,-z+1/2
62 -y,x+1/2,z+1/2
63 y,-x+1/2,z+1/2
64 y,x+1/2,-z+1/2
65 -x,-z+1/2,-y+1/2
66 -x,z+1/2,y+1/2
67 x,-z+1/2,y+1/2
68 x,z+1/2,-y+1/2
69 -z,-y+1/2,-x+1/2
70 -z,y+1/2,x+1/2
71 z,-y+1/2,x+1/2
72 z,y+1/2,-x+1/2
73 -x,-y+1/2,-z+1/2
74 -x,y+1/2,z+1/2
75 x,-y+1/2,z+1/2
76 x,y+1/2,-z+1/2
77 -y,-z+1/2,-x+1/2
78 -y,z+1/2,x+1/2
79 y,-z+1/2,x+1/2
80 y,z+1/2,-x+1/2
81 -z,-x+1/2,-y+1/2
82 -z,x+1/2,y+1/2
83 z,-x+1/2,y+1/2
84 z,x+1/2,-y+1/2
85 y,x+1/2,z+1/2
86 y,-x+1/2,-z+1/2
87 -y,x+1/2,-z+1/2
88 -y,-x+1/2,z+1/2
89 x,z+1/2,y+1/2
90 x,-z+1/2,-y+1/2
91 -x,z+1/2,-y+1/2
92 -x,-z+1/2,y+1/2
93 z,y+1/2,x+1/2
94 z,-y+1/2,-x+1/2
95 -z,y+1/2,-x+1/2
96 -z,-y+1/2,x+1/2
97 x+1/2,y,z+1/2
98 x+1/2,-y,-z+1/2
99 -x+1/2,y,-z+1/2
100 -x+1/2,-y,z+1/2
101 y+1/2,z,x+1/2
102 y+1/2,-z,-x+1/2
103 -y+1/2,z,-x+1/2
104 -y+1/2,-z,x+1/2
105 z+1/2,x,y+1/2
106 z+1/2,-x,-y+1/2
107 -z+1/2,x,-y+1/2
108 -z+1/2,-x,y+1/2
109 -y+1/2,-x,-z+1/2
110 -y+1/2,x,z+1/2
111 y+1/2,-x,z+1/2
112 y+1/2,x,-z+1/2
113 -x+1/2,-z,-y+1/2
114 -x+1/2,z,y+1/2
115 x+1/2,-z,y+1/2
116 x+1/2,z,-y+1/2
117 -z+1/2,-y,-x+1/2
118 -z+1/2,y,x+1/2
119 z+1/2,-y,x+1/2
120 z+1/2,y,-x+1/2
121 -x+1/2,-y,-z+1/2
122 -x+1/2,y,z+1/2
123 x+1/2,-y,z+1/2
124 x+1/2,y,-z+1/2
125 -y+1/2,-z,-x+1/2
126 -y+1/2,z,x+1/2
127 y+1/2,-z,x+1/2
128 y+1/2,z,-x+1/2
129 -z+1/2,-x,-y+1/2
130 -z+1/2,x,y+1/2
131 z+1/2,-x,y+1/2
132 z+1/2,x,-y+1/2
133 y+1/2,x,z+1/2
134 y+1/2,-x,-z+1/2
135 -y+1/2,x,-z+1/2
136 -y+1/2,-x,z+1/2
137 x+1/2,z,y+1/2
138 x+1/2,-z,-y+1/2
139 -x+1/2,z,-y+1/2
140 -x+1/2,-z,y+1/2
141 z+1/2,y,x+1/2
142 z+1/2,-y,-x+1/2
143 -z+1/2,y,-x+1/2
144 -z+1/2,-y,x+1/2
145 x+1/2,y+1/2,z
146 x+1/2,-y+1/2,-z
147 -x+1/2,y+1/2,-z
148 -x+1/2,-y+1/2,z
149 y+1/2,z+1/2,x
150 y+1/2,-z+1/2,-x
151 -y+1/2,z+1/2,-x
152 -y+1/2,-z+1/2,x
153 z+1/2,x+1/2,y
154 z+1/2,-x+1/2,-y
155 -z+1/2,x+1/2,-y
156 -z+1/2,-x+1/2,y
157 -y+1/2,-x+1/2,-z
158 -y+1/2,x+1/2,z
159 y+1/2,-x+1/2,z
160 y+1/2,x+1/2,-z
161 -x+1/2,-z+1/2,-y
162 -x+1/2,z+1/2,y
163 x+1/2,-z+1/2,y
164 x+1/2,z+1/2,-y
165 -z+1/2,-y+1/2,-x
166 -z+1/2,y+1/2,x
167 z+1/2,-y+1/2,x
168 z+1/2,y+1/2,-x
169 -x+1/2,-y+1/2,-z
170 -x+1/2,y+1/2,z
171 x+1/2,-y+1/2,z
172 x+1/2,y+1/2,-z
173 -y+1/2,-z+1/2,-x
174 -y+1/2,z+1/2,x
175 y+1/2,-z+1/2,x
176 y+1/2,z+1/2,-x
177 -z+1/2,-x+1/2,-y
178 -z+1/2,x+1/2,y
179 z+1/2,-x+1/2,y
180 z+1/2,x+1/2,-y
181 y+1/2,x+1/2,z
182 y+1/2,-x+1/2,-z
183 -y+1/2,x+1/2,-z
184 -y+1/2,-x+1/2,z
185 x+1/2,z+1/2,y
186 x+1/2,-z+1/2,-y
187 -x+1/2,z+1/2,-y
188 -x+1/2,-z+1/2,y
189 z+1/2,y+1/2,x
190 z+1/2,-y+1/2,-x
191 -z+1/2,y+1/2,-x
192 -z+1/2,-y+1/2,x
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1 Ca   4 a 0.00000 0.00000 0.00000 1.00000
F1  F    8 c 0.25000 0.25000 0.25000 1.00000
