# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Moissanite 9R'
_chemical_formula_sum 'C Si'
 
loop_
_publ_author_name
 'Michael J. Mehl'
_journal_name_full
;
None
;
_journal_volume 0
_journal_year 2001
_journal_page_first 0
_journal_page_last 0
_publ_Section_title
;
 Hypothetical SiO2 Structure with 9R stacking
;

_aflow_proto 'AB_hR6_160_3a_3a' 
_aflow_params 'a,c/a,x1,x2,x3,x4,x5,x6' 
_aflow_params_values '3.01791,7.34847294982,0.0,0.22222,0.77778,0.08333,0.30556,0.86111' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'hR6' 

_symmetry_space_group_name_Hall "R 3 -2"
_symmetry_space_group_name_H-M "R 3 m:H"
_symmetry_Int_Tables_number 160

_cell_length_a    3.01791
_cell_length_b    3.01791
_cell_length_c    22.17703
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -y,-x,z
5 x,x-y,z
6 -x+y,y,z
7 x+1/3,y+2/3,z+2/3
8 -y+1/3,x-y+2/3,z+2/3
9 -x+y+1/3,-x+2/3,z+2/3
10 -y+1/3,-x+2/3,z+2/3
11 x+1/3,x-y+2/3,z+2/3
12 -x+y+1/3,y+2/3,z+2/3
13 x+2/3,y+1/3,z+1/3
14 -y+2/3,x-y+1/3,z+1/3
15 -x+y+2/3,-x+1/3,z+1/3
16 -y+2/3,-x+1/3,z+1/3
17 x+2/3,x-y+1/3,z+1/3
18 -x+y+2/3,y+1/3,z+1/3
 
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
C1  C    3 a 0.00000 0.00000 0.00000 1.00000
C2  C    3 a 0.00000 0.00000 0.22222 1.00000
C3  C    3 a 0.00000 0.00000 0.77778 1.00000
Si1 Si   3 a 0.00000 0.00000 0.08333 1.00000
Si2 Si   3 a 0.00000 0.00000 0.30556 1.00000
Si3 Si   3 a 0.00000 0.00000 0.86111 1.00000
