data_global
_chemical_name_mineral 'Moissanite'
loop_
_publ_author_name
'Capitani G C'
'Di Pierro S'
'Tempesta G'
_journal_name_full 'American Mineralogist'
_journal_volume 92 
_journal_year 2007
_journal_page_first 403
_journal_page_last 407
_publ_section_title
;
 The 6H-SiC structure model: Further refinement from SCXRD data from a
 terrestrial moissanite
;
_database_code_amcsd 0004279
_chemical_compound_source '150 km NW from Izmir, Turkey'
_chemical_formula_sum 'Si C'
_cell_length_a 3.0810
_cell_length_b 3.0810
_cell_length_c 15.1248
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 124.338
_exptl_crystal_density_diffrn      3.213
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si1   0.00000   0.00000   0.00000   0.00500
Si2   0.33333   0.66667   0.16640   0.00500
Si3   0.66667   0.33333   0.33290   0.00500
C1   0.33333   0.66667   0.04120   0.00500
C2   0.66667   0.33333   0.20800   0.00500
C3   0.00000   0.00000   0.37460   0.00500
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si1 0.00500 0.00500 0.00500 0.00200 0.00000 0.00000
Si2 0.00500 0.00500 0.00500 0.00200 0.00000 0.00000
Si3 0.00500 0.00500 0.00600 0.00200 0.00000 0.00000
C1 0.00600 0.00600 0.00400 0.00300 0.00000 0.00000
C2 0.00500 0.00500 0.00500 0.00200 0.00000 0.00000
C3 0.00500 0.00500 0.00500 0.00300 0.00000 0.00000