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 = 32.5, T = 400 C
;
_database_code_amcsd 0019653
_chemical_compound_source 'Grande Calderira, Azores'
_chemical_formula_sum 'Na.686 K.334 Ca.008 (Al Si3) O8'
_cell_length_a 8.3482
_cell_length_b 12.9800
_cell_length_c 7.1582
_cell_angle_alpha 90
_cell_angle_beta 116.109
_cell_angle_gamma 90
_cell_volume 696.510
_exptl_crystal_density_diffrn      2.559
_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   0.27960   0.00000   0.13660   0.68600
K   0.27960   0.00000   0.13660   0.33400
Ca   0.27960   0.00000   0.13660   0.00800
Al1   0.00910   0.17970   0.22380   0.25000
Si1   0.00910   0.17970   0.22380   0.75000
Al2   0.69850   0.11670   0.34310   0.25000
Si2   0.69850   0.11670   0.34310   0.75000
O1   0.00000   0.14080   0.00000   1.00000
O2   0.61570   0.00000   0.28840   1.00000
O3   0.82420   0.13730   0.22360   1.00000
O4   0.02750   0.30780   0.25440   1.00000
O5   0.18830   0.12480   0.40870   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 0.02705 0.09133 0.06991 0.00000 0.02124 0.00000
K 0.02705 0.09133 0.06991 0.00000 0.02124 0.00000
Ca 0.02705 0.09133 0.06991 0.00000 0.02124 0.00000
Al1 0.03843 0.02646 0.02219 -0.00394 0.01855 -0.00085
Si1 0.03843 0.02646 0.02219 -0.00394 0.01855 -0.00085
Al2 0.03758 0.02134 0.02595 -0.00099 0.01831 -0.00042
Si2 0.03758 0.02134 0.02595 -0.00099 0.01831 -0.00042
O1 0.06833 0.04182 0.02051 0.00000 0.02343 0.00000
O2 0.05409 0.02731 0.04061 0.00000 0.02173 0.00000
O3 0.05181 0.05463 0.06070 -0.00296 0.03881 0.00465
O4 0.05324 0.03158 0.05861 -0.00592 0.03320 -0.00592
O5 0.05409 0.03841 0.04375 0.00739 0.02002 0.00676