data_global
_chemical_name_mineral 'Kalsilite'
loop_
_publ_author_name
'Gatta G D'
'Angel R J'
'Carpenter M A'
_journal_name_full 'American Mineralogist'
_journal_volume 95 
_journal_year 2010
_journal_page_first 1027
_journal_page_last 1034
_publ_section_title
;
 Low-temperature behavior of natural kalsilite with P31c symmetry:
 An in situ single-crystal X-ray diffraction study
 T = 150 K
;
_database_code_amcsd 0005055
_chemical_compound_source 'a granulite facies gneiss from the Punalur district in Kerala, India'
_chemical_formula_sum 'K.983 Al Si O4'
_cell_length_a 5.1560
_cell_length_b 5.1560
_cell_length_c 8.7450
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 201.334
_exptl_crystal_density_diffrn      2.598
_symmetry_space_group_name_H-M 'P 3 1 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,-y,1/2+z'
  '-y,x-y,z'
  'y,x,1/2+z'
  '-x+y,-x,z'
  '-x,-x+y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
K   0.00000   0.00000   0.25320   0.98300   0.01170
AlT1   0.33333   0.66667   0.06190   1.00000   0.00960
SiT2   0.33333   0.66667   0.44386   1.00000   0.00590
O1   0.33333   0.66667   0.25890   1.00000   0.02250
O2   0.62040   0.01400   1.00360   1.00000   0.01360
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 0.01130 0.01130 0.01250 0.00566 0.00000 0.00000
AlT1 0.00910 0.00910 0.01060 0.00460 0.00000 0.00000
SiT2 0.00570 0.00570 0.00630 0.00280 0.00000 0.00000
O1 0.02890 0.02890 0.00960 0.01440 0.00000 0.00000
O2 0.00630 0.00990 0.02040 0.00100 0.00200 0.00150