# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'beta-SiO2'
_chemical_formula_sum 'O2 Si'

loop_
_publ_author_name
 'A. F. Wright'
 'M. S. Lehmann'
_journal_name_full_name
;
 Journal of Solid State Chemistry
;
_journal_volume 36
_journal_year 1981
_journal_page_first 371
_journal_page_last 380
_publ_Section_title
;
 The Structure of Quartz at 25 and 590$^{°}$C Determined by Neutron Diffraction
;

_aflow_title '$\beta$-SiO$_{2}$ Structure'
_aflow_proto 'A2B_hP9_181_j_c'
_aflow_params 'a,c/a,x_{2}'
_aflow_params_values '4.9977,1.09252256038,0.2072'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP9'

_cell_length_a    4.9977000000
_cell_length_b    4.9977000000
_cell_length_c    5.4601000000
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 64 2 2"
_symmetry_Int_Tables_number 181
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z+2/3
3 -y,x-y,z+1/3
4 -x,-y,z
5 -x+y,-x,z+2/3
6 y,-x+y,z+1/3
7 x-y,-y,-z
8 x,x-y,-z+2/3
9 y,x,-z+1/3
10 -x+y,y,-z
11 -x,-x+y,-z+2/3
12 -y,-x,-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
Si1 Si   3 c 0.50000 0.00000 0.00000 1.00000
O1  O    6 j 0.20720 0.41440 0.50000 1.00000
