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 = 225 K
;
_database_code_amcsd 0005058
_chemical_compound_source 'a granulite facies gneiss from the Punalur district in Kerala, India'
_chemical_formula_sum 'K.985 Al Si O4'
_cell_length_a 5.1627
_cell_length_b 5.1627
_cell_length_c 8.7392
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 201.723
_exptl_crystal_density_diffrn      2.594
_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   0.25300   0.98500   0.01540
AlT1   0.33333   0.66667   0.06190   1.00000   0.00930
SiT2   0.33333   0.66667   0.44384   1.00000   0.00810
O1   0.33333   0.66667   0.25900   1.00000   0.02620
O2   0.61900   0.01460   1.00430   1.00000   0.01590
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 0.01490 0.01490 0.01640 0.00744 0.00000 0.00000
AlT1 0.00740 0.00740 0.01310 0.00370 0.00000 0.00000
SiT2 0.00890 0.00890 0.00650 0.00440 0.00000 0.00000
O1 0.03410 0.03410 0.01040 0.01700 0.00000 0.00000
O2 0.00740 0.01080 0.02520 0.00130 0.00120 0.00180