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 = 600 K, Sample H003
;
_database_code_amcsd 0020543
_chemical_compound_source 'Unknown'
_chemical_formula_sum '(K.92 Na.08) (Si3 Al) O8'
_cell_length_a 8.6159
_cell_length_b 12.9806
_cell_length_c 7.1991
_cell_angle_alpha 90
_cell_angle_beta 115.956
_cell_angle_gamma 90
_cell_volume 723.930
_exptl_crystal_density_diffrn      2.542
_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   0.28773   0.00000   0.13994   0.92000   0.04980
Na   0.28773   0.00000   0.13994   0.08000   0.04980
SiT1   0.00962   0.18576   0.22416   0.62000   0.01980
AlT1A   0.00962   0.18576   0.22416   0.38000   0.01980
SiT2   0.71201   0.11802   0.34502   0.88000   0.01970
AlT2A   0.71201   0.11802   0.34502   0.12000   0.01970
OA1   0.00000   0.14725   0.00000   1.00000   0.03430
OA2   0.64370   0.00000   0.28500   1.00000   0.03370
OB   0.82790   0.14860   0.22830   1.00000   0.04040
OC   0.03770   0.31246   0.26060   1.00000   0.03160
OD   0.17900   0.12586   0.40670   1.00000   0.03430
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 0.03590 0.05810 0.05220 0.00000 0.01650 0.00000
Na 0.03590 0.05810 0.05220 0.00000 0.01650 0.00000
SiT1 0.02190 0.02040 0.01840 -0.00326 0.01010 -0.00171
AlT1A 0.02190 0.02040 0.01840 -0.00326 0.01010 -0.00171
SiT2 0.02050 0.01720 0.02120 -0.00062 0.00910 0.00014
AlT2A 0.02050 0.01720 0.02120 -0.00062 0.00910 0.00014
OA1 0.04130 0.03410 0.03010 0.00000 0.01810 0.00000
OA2 0.03450 0.01970 0.03750 0.00000 0.00700 0.00000
OB 0.03670 0.04910 0.04410 -0.00660 0.02580 0.00190
OC 0.02900 0.02610 0.03800 -0.00470 0.01300 -0.00380
OD 0.03640 0.03510 0.02370 0.00420 0.00610 0.00230