data_global
_chemical_name_mineral 'Coesite'
loop_
_publ_author_name
'Levien L'
'Prewitt C T'
_journal_name_full 'American Mineralogist'
_journal_volume 66 
_journal_year 1981
_journal_page_first 324
_journal_page_last 333
_publ_section_title
;
 High-pressure crystal structure and compressibility of coesite
 P = 51.9 kbar
;
_database_code_amcsd 0000822
_chemical_formula_sum 'Si O2'
_cell_length_a 6.9897
_cell_length_b 12.233
_cell_length_c 7.1112
_cell_angle_alpha 90
_cell_angle_beta 120.74
_cell_angle_gamma 90
_cell_volume 522.610
_exptl_crystal_density_diffrn      3.055
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  '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'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si1   0.13690   0.11010   0.07040   0.00519
Si2   0.50870   0.15740   0.54460   0.00481
O1   0.00000   0.00000   0.00000   0.01191
O2   0.50000   0.10850   0.75000   0.00697
O3   0.25400   0.12980   0.92820   0.00785
O4   0.31870   0.10050   0.32510   0.00937
O5   0.02750   0.21260   0.47140   0.01013