data_global
_chemical_name_mineral 'Sanidine'
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: Sample San40, cation-exchanged sanidine
;
_database_code_amcsd 0020554
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Na.58 K.4 Ba.02) (Si2.96 Al1.04) O8'
_cell_length_a 8.3463
_cell_length_b 12.9877
_cell_length_c 7.1683
_cell_angle_alpha 90
_cell_angle_beta 116.180
_cell_angle_gamma 90
_cell_volume 697.324
_exptl_crystal_density_diffrn      2.580
_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
Na   0.77698   0.50000   0.13650   0.58000   0.04210
K   0.77698   0.50000   0.13650   0.40000   0.04210
Ba   0.77698   0.50000   0.13650   0.02000   0.04210
SiT1   0.50803   0.32001   0.22330   0.71000   0.01438
AlT1   0.50803   0.32001   0.22330   0.29000   0.01438
SiT2   0.19761   0.38344   0.34224   0.77000   0.01415
AlT2   0.19761   0.38344   0.34224   0.23000   0.01415
OA1   0.50000   0.35900   0.00000   1.00000   0.02580
OA2   0.11220   0.50000   0.28520   1.00000   0.02410
OB   0.32410   0.36280   0.22640   1.00000   0.02830
OC   0.52530   0.19402   0.25370   1.00000   0.02290
OD   0.68760   0.37505   0.40560   1.00000   0.02360
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 0.02150 0.05670 0.04240 0.00000 0.00890 0.00000
K 0.02150 0.05670 0.04240 0.00000 0.00890 0.00000
Ba 0.02150 0.05670 0.04240 0.00000 0.00890 0.00000
SiT1 0.01760 0.01480 0.01150 0.00240 0.00720 0.00050
AlT1 0.01760 0.01480 0.01150 0.00240 0.00720 0.00050
SiT2 0.01680 0.01130 0.01400 0.00040 0.00650 0.00000
AlT2 0.01680 0.01130 0.01400 0.00040 0.00650 0.00000
OA1 0.03590 0.02430 0.02040 0.00000 0.01540 0.00000
OA2 0.02630 0.01520 0.02570 0.00000 0.00690 0.00000
OB 0.02640 0.03390 0.02950 0.00400 0.01690 -0.00080
OC 0.02250 0.01880 0.02500 0.00160 0.00830 0.00210
OD 0.02540 0.02330 0.01740 -0.00150 0.00520 -0.00240