data_global
_chemical_name_mineral 'Quartz'
loop_
_publ_author_name
'Kihara K'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 2 
_journal_year 1990
_journal_page_first 63
_journal_page_last 77
_publ_section_title
;
 An X-ray study of the temperature dependence of the quartz structure
 Sample: at T = 298 K
;
_database_code_amcsd 0006362
_chemical_formula_sum 'Si O2'
_cell_length_a 4.9137
_cell_length_b 4.9137
_cell_length_c 5.4047
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 113.011
_exptl_crystal_density_diffrn      2.649
_symmetry_space_group_name_H-M 'P 32 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,2/3-z'
  '-y,x-y,2/3+z'
  '-x,-x+y,1/3-z'
  '-x+y,-x,1/3+z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si   0.46970   0.00000   0.00000
O   0.41330   0.26720   0.11880
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
Si 0.00734 0.00560 0.00666 0.00280 -0.00017 -0.00035
O 0.01642 0.01193 0.01258 0.00936 -0.00303 -0.00478