data_global
_chemical_name_mineral 'Orthoclase'
loop_
_publ_author_name
'Angel R J'
'Ross N L'
'Zhao J'
'Sochalski-Kolbus L'
'Kruger H'
'Schmidt B C'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 25 
_journal_year 2013
_journal_page_first 597
_journal_page_last 614
_publ_section_title
;
 Structural controls on the anisotropy of tetrahedral frameworks:
 the example of monoclinic feldspars
 Note: T = 900 K, Sample H003
;
_database_code_amcsd 0020544
_chemical_compound_source 'Unknown'
_chemical_formula_sum '(K.92 Na.08) (Si3 Al) O8'
_cell_length_a 8.6609
_cell_length_b 12.9770
_cell_length_c 7.2003
_cell_angle_alpha 90
_cell_angle_beta 115.876
_cell_angle_gamma 90
_cell_volume 728.124
_exptl_crystal_density_diffrn      2.527
_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
_atom_site_U_iso_or_equiv
K   0.29047   0.00000   0.14187   0.92000   0.06870
Na   0.29047   0.00000   0.14187   0.08000   0.06870
SiT1   0.01024   0.18679   0.22437   0.62000   0.02540
AlT1A   0.01024   0.18679   0.22437   0.38000   0.02540
SiT2   0.71500   0.11839   0.34564   0.88000   0.02500
AlT2A   0.71500   0.11839   0.34564   0.12000   0.02500
OA1   0.00000   0.14840   0.00000   1.00000   0.04400
OA2   0.64870   0.00000   0.28500   1.00000   0.04250
OB   0.82910   0.15091   0.22880   1.00000   0.05280
OC   0.04030   0.31333   0.26160   1.00000   0.04060
OD   0.17750   0.12599   0.40670   1.00000   0.04500
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 0.05110 0.07920 0.07260 0.00000 0.02390 0.00000
Na 0.05110 0.07920 0.07260 0.00000 0.02390 0.00000
SiT1 0.02770 0.02650 0.02320 -0.00460 0.01230 -0.00204
AlT1A 0.02770 0.02650 0.02320 -0.00460 0.01230 -0.00204
SiT2 0.02570 0.02170 0.02710 -0.00113 0.01100 0.00003
AlT2A 0.02570 0.02170 0.02710 -0.00113 0.01100 0.00003
OA1 0.05420 0.04470 0.03630 0.00000 0.02250 0.00000
OA2 0.04390 0.02280 0.04870 0.00000 0.00910 0.00000
OB 0.04690 0.06550 0.05720 -0.01030 0.03310 0.00230
OC 0.03660 0.03270 0.05020 -0.00630 0.01690 -0.00500
OD 0.04860 0.04570 0.02980 0.00630 0.00690 0.00310