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 = 2.54 GPa
;
_database_code_amcsd 0001894
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.0896
_cell_length_b 7.8173
_cell_length_c 5.5497
_cell_angle_alpha 90.031
_cell_angle_beta 101.098
_cell_angle_gamma 105.987
_cell_volume 289.680
_exptl_crystal_density_diffrn      3.716
_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   0.32450   0.70380   0.45720   0.00532
Al2   0.29730   0.69900   0.95070   0.00481
Al3   0.09970   0.38620   0.64080   0.00507
Al4   0.11160   0.91700   0.16420   0.00532
Si1   0.29640   0.06460   0.70570   0.00456
Si2   0.29180   0.33220   0.19060   0.00494
O1   0.10960   0.14770   0.13080   0.00659
O2   0.12230   0.68380   0.17860   0.00519
O3   0.27620   0.45520   0.95560   0.00494
O4   0.28380   0.93680   0.93720   0.00659
O5   0.10820   0.15180   0.66790   0.00545
O6   0.12160   0.63120   0.64000   0.00684
O7   0.28170   0.44520   0.42910   0.00747
O8   0.29230   0.94800   0.46590   0.00570
O9   0.50050   0.27310   0.24400   0.00785
O10   0.50130   0.23150   0.75530   0.00735