data_global
_chemical_name_mineral 'Quartz'
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 0004265
_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 4.923
_cell_length_b 4.923
_cell_length_c 5.409
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 113.529
_exptl_crystal_density_diffrn      2.636
_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
_atom_site_U_iso_or_equiv
Si   0.46800   0.00000   0.00000   0.02200
O   0.41400   0.26400   0.12100   0.02800
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 0.02600 0.01400 0.02300 0.00700 -0.00400 -0.00800
O 0.03300 0.02300 0.03000 0.01500 0.00400 -0.00800