data_global
_chemical_name_mineral 'Kyanite'
loop_
_publ_author_name
'Yang H'
'Downs R T'
'Finger L W'
'Hazen R M'
'Prewitt C T'
_journal_name_full 'American Mineralogist'
_journal_volume 82 
_journal_year 1997
_journal_page_first 467
_journal_page_last 474
_publ_section_title
;
 Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
 Sample: at P = 4.56 GPa
;
_database_code_amcsd 0001896
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.0648
_cell_length_b 7.7926
_cell_length_c 5.5299
_cell_angle_alpha 90.089
_cell_angle_beta 101.085
_cell_angle_gamma 105.982
_cell_volume 286.732
_exptl_crystal_density_diffrn      3.754
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al1   0.32430   0.70350   0.45650   0.00494
Al2   0.29760   0.69880   0.95030   0.00481
Al3   0.09980   0.38610   0.64030   0.00469
Al4   0.11230   0.91780   0.16490   0.00418
Si1   0.29630   0.06510   0.70560   0.00431
Si2   0.29250   0.33260   0.19150   0.00456
O1   0.10890   0.14770   0.13220   0.00557
O2   0.12090   0.68250   0.17800   0.00494
O3   0.27640   0.45460   0.95380   0.00507
O4   0.28440   0.93550   0.93800   0.00545
O5   0.10900   0.15240   0.66970   0.00507
O6   0.12090   0.63090   0.64010   0.00342
O7   0.28390   0.44630   0.42990   0.00671
O8   0.29240   0.94760   0.46510   0.00595
O9   0.50180   0.27290   0.24380   0.00545
O10   0.50130   0.23390   0.75590   0.00785