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 = 293 K, Sample H003_RT
;
_database_code_amcsd 0020542
_chemical_compound_source 'Unknown'
_chemical_formula_sum '(K.92 Na.08) (Si3 Al) O8'
_cell_length_a 8.5752
_cell_length_b 12.9860
_cell_length_c 7.2013
_cell_angle_alpha 90
_cell_angle_beta 116.023
_cell_angle_gamma 90
_cell_volume 720.619
_exptl_crystal_density_diffrn      2.554
_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   0.28485   0.00000   0.13820   0.92000   0.03210
Na   0.28485   0.00000   0.13820   0.08000   0.03210
SiT1   0.00927   0.18479   0.22406   0.62000   0.01464
AlT1A   0.00927   0.18479   0.22406   0.38000   0.01464
SiT2   0.70902   0.11769   0.34450   0.88000   0.01482
AlT2A   0.70902   0.11769   0.34450   0.12000   0.01482
OA1   0.00000   0.14606   0.00000   1.00000   0.02480
OA2   0.63800   0.00000   0.28540   1.00000   0.02520
OB   0.82683   0.14641   0.22780   1.00000   0.02890
OC   0.03505   0.31152   0.25930   1.00000   0.02280
OD   0.18076   0.12584   0.40681   1.00000   0.02370
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 0.02290 0.03810 0.03230 0.00000 0.00930 0.00000
Na 0.02290 0.03810 0.03230 0.00000 0.00930 0.00000
SiT1 0.01600 0.01510 0.01370 -0.00226 0.00729 -0.00138
AlT1A 0.01600 0.01510 0.01370 -0.00226 0.00729 -0.00138
SiT2 0.01550 0.01360 0.01530 -0.00001 0.00667 0.00042
AlT2A 0.01550 0.01360 0.01530 -0.00001 0.00667 0.00042
OA1 0.02830 0.02280 0.02460 0.00000 0.01270 0.00000
OA2 0.02590 0.01640 0.02650 0.00000 0.00520 0.00000
OB 0.02650 0.03530 0.03040 -0.00200 0.01740 0.00250
OC 0.02050 0.02170 0.02470 -0.00240 0.00850 -0.00280
OD 0.02490 0.02430 0.01700 0.00110 0.00460 0.00110