data_global
_chemical_name_mineral 'Tridymite'
loop_
_publ_author_name
'Kihara K'
'Matsumoto T'
'Imamura M'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 177 
_journal_year 1986
_journal_page_first 27
_journal_page_last 38
_publ_section_title
;
 Structural change of orthorhombic-I tridymite with temperature:
 A study based on second-order thermal-vibrational parameters
 Note: Dollase's model, T = 733 K
;
_database_code_amcsd 0020936
_chemical_compound_source 'synthetic refractory silica brick'
_chemical_formula_sum 'Si O2'
_cell_length_a 8.74
_cell_length_b 5.04
_cell_length_c 8.24
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 362.969
_exptl_crystal_density_diffrn      2.199
_symmetry_space_group_name_H-M 'C 2 2 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si   0.16680   0.49140   0.43770
O1   0.33280   0.00000   0.75000
O2   0.00000   0.51630   0.50000
O3   0.25480   0.25300   0.49560
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 0.04412 0.04311 0.03990 -0.00803 0.00000 -0.00231
O1 0.13622 0.13602 0.04231 0.00000 0.00000 -0.01010
O2 0.05340 0.18055 0.13587 0.00000 0.03794 0.00000
O3 0.13815 0.08352 0.13759 0.05088 -0.01861 0.03640