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 = 1075 K, Sample H003
;
_database_code_amcsd 0020545
_chemical_compound_source 'Unknown'
_chemical_formula_sum '(K.92 Na.08) (Si3 Al) O8'
_cell_length_a 8.6849
_cell_length_b 12.9747
_cell_length_c 7.2030
_cell_angle_alpha 90
_cell_angle_beta 115.819
_cell_angle_gamma 90
_cell_volume 730.638
_exptl_crystal_density_diffrn      2.519
_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   0.29190   0.00000   0.14320   0.92000   0.08020
Na   0.29190   0.00000   0.14320   0.08000   0.08020
SiT1   0.01058   0.18734   0.22450   0.62000   0.02860
AlT1A   0.01058   0.18734   0.22450   0.38000   0.02860
SiT2   0.71666   0.11855   0.34601   0.88000   0.02800
AlT2A   0.71666   0.11855   0.34601   0.12000   0.02800
OA1   0.00000   0.14900   0.00000   1.00000   0.04940
OA2   0.65190   0.00000   0.28520   1.00000   0.04770
OB   0.83000   0.15230   0.22940   1.00000   0.05910
OC   0.04180   0.31360   0.26230   1.00000   0.04590
OD   0.17640   0.12595   0.40660   1.00000   0.05090
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 0.06020 0.09230 0.08520 0.00000 0.02900 0.00000
Na 0.06020 0.09230 0.08520 0.00000 0.02900 0.00000
SiT1 0.03140 0.02980 0.02600 -0.00510 0.01380 -0.00197
AlT1A 0.03140 0.02980 0.02600 -0.00510 0.01380 -0.00197
SiT2 0.02880 0.02420 0.03030 -0.00100 0.01240 0.00009
AlT2A 0.02880 0.02420 0.03030 -0.00100 0.01240 0.00009
OA1 0.06150 0.05030 0.04040 0.00000 0.02610 0.00000
OA2 0.04940 0.02490 0.05550 0.00000 0.01060 0.00000
OB 0.05270 0.07280 0.06430 -0.01220 0.03720 0.00240
OC 0.04120 0.03550 0.05820 -0.00660 0.01900 -0.00530
OD 0.05510 0.05210 0.03270 0.00770 0.00730 0.00360