# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'beta-Si3N4'
_chemical_formula_sum 'N4 Si3'

loop_
_publ_author_name
 'W. D. Forgeng'
 'B. F. Decker'
_journal_name_full_name
;
 Transactions of the American Institute of Mining and Metallurgical Engineers
;
_journal_volume 212
_journal_year 1958
_journal_page_first 343
_journal_page_last 348
_publ_Section_title
;
 Nitrides of silicon
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title '$\beta$-Si$_{3}$N$_{4}$ Structure'
_aflow_proto 'A4B3_hP14_173_bc_c'
_aflow_params 'a,c/a,z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3}'
_aflow_params_values '7.603038022,0.382612126795,0.0,0.3284,0.0313,0.05,0.2314,0.4063,0.013'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP14'

_cell_length_a    7.6030380220
_cell_length_b    7.6030380220
_cell_length_c    2.9090145477
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 63"
_symmetry_Int_Tables_number 173
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z+1/2
3 -y,x-y,z
4 -x,-y,z+1/2
5 -x+y,-x,z
6 y,-x+y,z+1/2
 
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
N1  N    2 b 0.33333 0.66667 0.00000 1.00000
N2  N    6 c 0.32840 0.03130 0.05000 1.00000
Si1 Si   6 c 0.23140 0.40630 0.01300 1.00000
