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 = 1.35 GPa
;
_database_code_amcsd 0001893
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.1038
_cell_length_b 7.8305
_cell_length_c 5.5605
_cell_angle_alpha 90.023
_cell_angle_beta 101.112
_cell_angle_gamma 106.001
_cell_volume 291.282
_exptl_crystal_density_diffrn      3.695
_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   0.32490   0.70410   0.45810   0.00545
Al2   0.29720   0.69890   0.94990   0.00443
Al3   0.09960   0.38610   0.64050   0.00469
Al4   0.11140   0.91710   0.16390   0.00469
Si1   0.29640   0.06470   0.70670   0.00481
Si2   0.29220   0.33240   0.19110   0.00443
O1   0.10920   0.14800   0.12960   0.00469
O2   0.12150   0.68440   0.17860   0.00583
O3   0.27480   0.45460   0.95500   0.00532
O4   0.28370   0.93610   0.93670   0.00557
O5   0.10800   0.15160   0.66700   0.00583
O6   0.12130   0.63100   0.64030   0.00570
O7   0.28210   0.44550   0.42970   0.00570
O8   0.29150   0.94760   0.46570   0.00557
O9   0.50050   0.27430   0.24450   0.00722
O10   0.50150   0.23200   0.75550   0.00722