data_global
_chemical_name_mineral 'Albite'
loop_
_publ_author_name
'Harlow G E'
_journal_name_full 'American Mineralogist'
_journal_volume 67 
_journal_year 1982
_journal_page_first 975
_journal_page_last 996
_publ_section_title
;
 The anorthoclase structures: The effects of temperature and composition
 Note: Or = 22.3, T = 510 C
;
_database_code_amcsd 0019655
_chemical_compound_source 'Mt Gibele, Pantelleria Islands, Italy'
_chemical_formula_sum 'Na.71 K.224 Ca.069 (Al Si3) O8'
_cell_length_a 8.314
_cell_length_b 12.973
_cell_length_c 7.150
_cell_angle_alpha 90
_cell_angle_beta 116.135
_cell_angle_gamma 90
_cell_volume 692.335
_exptl_crystal_density_diffrn      2.562
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na   0.27800   0.00000   0.13720   0.71000
K   0.27800   0.00000   0.13720   0.22400
Ca   0.27800   0.00000   0.13720   0.06900
Al1   0.00810   0.17920   0.22360   0.25000
Si1   0.00810   0.17920   0.22360   0.75000
Al2   0.69670   0.11640   0.34220   0.25000
Si2   0.69670   0.11640   0.34220   0.75000
O1   0.00000   0.13910   0.00000   1.00000
O2   0.60840   0.00000   0.28420   1.00000
O3   0.82300   0.13610   0.22420   1.00000
O4   0.02560   0.30440   0.25280   1.00000
O5   0.18770   0.12410   0.40630   1.00000
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
Na 0.01693 0.09038 0.06074 0.00000 0.01165 0.00000
K 0.01693 0.09038 0.06074 0.00000 0.01165 0.00000
Ca 0.01693 0.09038 0.06074 0.00000 0.01165 0.00000
Al1 0.02625 0.02387 0.01920 -0.00441 0.01189 -0.00084
Si1 0.02625 0.02387 0.01920 -0.00441 0.01189 -0.00084
Al2 0.02455 0.01790 0.02317 -0.00147 0.01141 -0.00084
Si2 0.02455 0.01790 0.02317 -0.00147 0.01141 -0.00084
O1 0.05701 0.04775 0.02693 0.00000 0.02330 0.00000
O2 0.03471 0.02387 0.04571 0.00000 0.01238 0.00000
O3 0.04092 0.05968 0.05886 -0.01226 0.03374 -0.00253
O4 0.04177 0.02984 0.05218 -0.00736 0.02087 -0.00295
O5 0.04318 0.04775 0.03194 0.00491 0.00850 0.00802