data_global
_chemical_name_mineral 'Kalsilite'
loop_
_publ_author_name
'Cellai D'
'Gesing T M'
'Wruck B'
'Carpenter M A'
_journal_name_full 'American Mineralogist'
_journal_volume 84 
_journal_year 1999
_journal_page_first 1950
_journal_page_last 1955
_publ_section_title
;
 X-ray study of the trigonal-hexagonal phase transition in metamorphic kalsilite
;
_database_code_amcsd 0002336
_chemical_formula_sum 'K Al Si O4'
_cell_length_a 5.1627
_cell_length_b 5.1627
_cell_length_c 8.706
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 200.957
_exptl_crystal_density_diffrn      2.614
_symmetry_space_group_name_H-M 'P 63'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,x,1/2+z'
  '-y,x-y,z'
  '-x,-y,1/2+z'
  '-x+y,-x,z'
  'y,-x+y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K   0.00000   0.00000   0.25000
Al   0.33333   0.66667   0.06100
Si   0.33333   0.66667   0.44300
O1   0.33333   0.66667   0.24100
O2   0.60270   0.01190   0.99700
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.01740 0.01740 0.01940 0.00870 0.00000 0.00000
Al 0.00860 0.00860 0.01100 0.00430 0.00000 0.00000
Si 0.00810 0.00810 0.00700 0.00405 0.00000 0.00000
O1 0.05200 0.05200 0.00500 0.02600 0.00000 0.00000
O2 0.01100 0.01200 0.03600 0.00600 0.00300 0.00200