data_global
_chemical_name_mineral 'Coesite'
loop_
_publ_author_name
'Ikuta D'
'Kawame N'
'Banno S'
'Hirajima T'
'Ito K'
'Rakovan J F'
'Downs R T'
'Tamada O'
_journal_name_full 'American Mineralogist'
_journal_volume 92 
_journal_year 2007
_journal_page_first 57
_journal_page_last 63
_publ_section_title
;
 First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass
 thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details
 Note: Sample is on a thin section
;
_database_code_amcsd 0004264
_chemical_compound_source 'Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China'
_chemical_formula_sum 'Si O2'
_cell_length_a 7.140
_cell_length_b 12.371
_cell_length_c 7.175
_cell_angle_alpha 90
_cell_angle_beta 120.34
_cell_angle_gamma 90
_cell_volume 546.962
_exptl_crystal_density_diffrn      2.919
_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   0.14010   0.10830   0.07230   0.01400
Si2   0.50680   0.15810   0.54070   0.01500
O1   0.00000   0.00000   0.00000   0.01600
O2   0.50000   0.11620   0.75000   0.01500
O3   0.26690   0.12360   0.94060   0.02000
O4   0.31040   0.10420   0.32750   0.02000
O5   0.01670   0.21200   0.47800   0.01700
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
Si1 0.01500 0.01200 0.01500 -0.00100 0.00800 -0.00100
Si2 0.01700 0.01300 0.01500 -0.00100 0.00900 0.00000
O1 0.01600 0.01300 0.01700 -0.00800 0.00800 -0.00600
O2 0.02000 0.01500 0.01200 0.00000 0.01000 0.00000
O3 0.02200 0.02400 0.01800 -0.00600 0.01300 -0.00500
O4 0.02300 0.02100 0.01600 -0.00800 0.00900 -0.00500
O5 0.02100 0.01400 0.02100 -0.00100 0.01400 0.00100