data_global
_chemical_name_mineral 'Kyanite'
loop_
_publ_author_name
'Comodi P'
'Zanazzi P F'
'Poli S'
'Schmidt M W'
_journal_name_full 'American Mineralogist'
_journal_volume 82 
_journal_year 1997
_journal_page_first 452
_journal_page_last 459
_publ_section_title
;
 High-pressure behavior of kyanite: Compressibility and structural deformation
 Sample: P = 0.001 kbar, in air
;
_database_code_amcsd 0001887
_chemical_formula_sum 'Si Al2 O5'
_cell_length_a 7.124
_cell_length_b 7.856
_cell_length_c 5.577
_cell_angle_alpha 89.99
_cell_angle_beta 101.15
_cell_angle_gamma 105.95
_cell_volume 293.978
_exptl_crystal_density_diffrn      3.661
_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
Si1   0.29630   0.06490   0.70670   0.00400
Si2   0.29100   0.33180   0.18920   0.00380
Al1   0.32540   0.70420   0.45820   0.00470
Al2   0.29740   0.69880   0.95050   0.00460
Al3   0.09970   0.38610   0.64050   0.00450
Al4   0.11200   0.91740   0.16480   0.00470
O1   0.10940   0.14690   0.12880   0.00540
O2   0.12310   0.68550   0.18150   0.00490
O3   0.27500   0.45460   0.95460   0.00580
O4   0.28320   0.93560   0.93570   0.00560
O5   0.10830   0.15210   0.66660   0.00520
O6   0.12210   0.63060   0.63900   0.00510
O7   0.28230   0.44520   0.42880   0.00580
O8   0.29140   0.94690   0.46590   0.00580
O9   0.50070   0.27510   0.24470   0.00550
O10   0.50120   0.23100   0.75610   0.00530