# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Moissanite-15R'
_chemical_formula_sum 'C Si'

loop_
_publ_author_name
 'N. W. Thibault'
_journal_name_full_name
;
 American Mineralogist
;
_journal_volume 29
_journal_year 1944
_journal_page_first 327
_journal_page_last 362
_publ_Section_title
;
 Morphological and Structural Crystallography and Optical Properties of Silicon Carbide (SiC) Part II: Structural Crystallography and Optical Properties
;

# Found in Properties of Silicon Carbide, 1995

_aflow_title 'Moissanite-15R (SiC, $B7$) Structure'
_aflow_proto 'AB_hR10_160_5a_5a'
_aflow_params 'a,c/a,x_{1},x_{2},x_{3},x_{4},x_{5},x_{6},x_{7},x_{8},x_{9},x_{10}'
_aflow_params_values '3.09,12.2653721683,0.0,0.13333,0.4,0.6,0.86667,0.05,0.18333,0.45,0.65,-0.08333'
_aflow_Strukturbericht '$B7$'
_aflow_Pearson 'hR10'

_symmetry_space_group_name_H-M "R 3 m (hexagonal axes)"
_symmetry_Int_Tables_number 160
 
_cell_length_a    3.09000
_cell_length_b    3.09000
_cell_length_c    37.90000
_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 0.13333  1.00000
C3  C    3 a 0.00000 0.00000 0.40000  1.00000
C4  C    3 a 0.00000 0.00000 0.60000  1.00000
C5  C    3 a 0.00000 0.00000 0.86667  1.00000
Si1 Si   3 a 0.00000 0.00000 0.05000  1.00000
Si2 Si   3 a 0.00000 0.00000 0.18333  1.00000
Si3 Si   3 a 0.00000 0.00000 0.45000  1.00000
Si4 Si   3 a 0.00000 0.00000 0.65000  1.00000
Si5 Si   3 a 0.00000 0.00000 -0.08333 1.00000
