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 = 47 kbar
;
_database_code_amcsd 0001891
_chemical_formula_sum 'Si Al2 O5'
_cell_length_a 7.063
_cell_length_b 7.784
_cell_length_c 5.524
_cell_angle_alpha 90.13
_cell_angle_beta 101.16
_cell_angle_gamma 105.85
_cell_volume 286.140
_exptl_crystal_density_diffrn      3.762
_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   0.29800   0.06550   0.70690   0.00300
Si2   0.29400   0.33250   0.18970   0.00300
Al1   0.32600   0.70500   0.45800   0.00600
Al2   0.29500   0.69890   0.95000   0.00600
Al3   0.10200   0.38790   0.64100 ?
Al4   0.11000   0.91440   0.16300   0.00100
O1   0.11900   0.15000   0.13400   0.00200
O2   0.11600   0.68000   0.18100   0.00100
O3   0.28000   0.45500   0.95300   0.00200
O4   0.27800   0.93400   0.93700 ?
O5   0.11900   0.15500   0.66700   0.00200
O6   0.12100   0.63300   0.64000   0.00100
O7   0.28700   0.44700   0.42900 ?
O8   0.29100   0.94600   0.46200   0.00300
O9   0.51100   0.27300   0.24700   0.00500
O10   0.51100   0.23700   0.75800   0.00500