data_global
_chemical_name_mineral 'Cristobalite'
loop_
_publ_author_name
'Pluth J J'
'Smith J V'
'Faber J'
_journal_name_full 'Journal of Applied Physics'
_journal_volume 57 
_journal_year 1985
_journal_page_first 1045
_journal_page_last 1049
_publ_section_title
;
 Crystal structure of low cristobalite at 10, 293, and 473 K:
 Variation of framework geometry with temperature
 Sample: T = 10 K
;
_database_code_amcsd 0012928
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Si O2'
_cell_length_a 4.9570
_cell_length_b 4.9570
_cell_length_c 6.8903
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 169.307
_exptl_crystal_density_diffrn      2.357
_symmetry_space_group_name_H-M 'P 41 21 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '1/2-y,1/2+x,1/4+z'
  '1/2-x,1/2+y,1/4-z'
  '-x,-y,1/2+z'
  '-y,-x,1/2-z'
  '1/2+y,1/2-x,3/4+z'
  '1/2+x,1/2-y,3/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si   0.30470   0.30470   0.00000
O   0.23810   0.11090   0.18260
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 0.00187 0.00187 0.00289 0.00050 0.00087 -0.00087
O 0.00909 0.00050 0.00529 -0.00075 0.00104 0.00225