data_global
_chemical_name_mineral 'Feldspar'
loop_
_publ_author_name
'Chiari G'
'Calleri M'
'Bruno E'
'Ribbe P H'
_journal_name_full 'American Mineralogist'
_journal_volume 60 
_journal_year 1975
_journal_page_first 111
_journal_page_last 119
_publ_section_title
;
 The structure of partially disordered, synthetic strontium feldspar
;
_database_code_amcsd 0000444
_chemical_formula_sum 'Sr (Si2 Al2) O8'
_cell_length_a 8.388
_cell_length_b 12.974
_cell_length_c 14.264
_cell_angle_alpha 90
_cell_angle_beta 115.2
_cell_angle_gamma 90
_cell_volume 1404.557
_exptl_crystal_density_diffrn      3.081
_symmetry_space_group_name_H-M 'I 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr   0.26900  -0.00200   0.06560   1.00000
SiT1(o)   0.00660   0.17460   0.10830   0.90000
AlT1(o)   0.00660   0.17460   0.10830   0.10000
SiT1(z)   0.00320   0.17750   0.61640   0.10000
AlT1(z)   0.00320   0.17750   0.61640   0.90000
SiT2(o)   0.69340   0.12000   0.17060   0.10000
AlT2(o)   0.69340   0.12000   0.17060   0.90000
SiT2(z)   0.68450   0.11370   0.67160   0.90000
AlT2(z)   0.68450   0.11370   0.67160   0.10000
OA(1)   0.00450   0.12890   0.00030   1.00000
OA(2)   0.59110   0.00020   0.14270   1.00000
OB(o)   0.82670   0.12660   0.10540   1.00000
OB(z)   0.81040   0.12630   0.61130   1.00000
OC(o)   0.01320   0.29840   0.11860   1.00000
OC(z)   0.01880   0.30900   0.63040   1.00000
OD(o)   0.18760   0.12450   0.19550   1.00000
OD(z)   0.19600   0.11900   0.70270   1.00000
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
Sr 0.00613 0.02302 0.01097 0.00050 0.00099 -0.00170
SiT1(o) 0.00671 0.01279 0.00506 -0.00249 0.00149 -0.00085
AlT1(o) 0.00671 0.01279 0.00506 -0.00249 0.00149 -0.00085
SiT1(z) 0.01051 0.01364 0.00338 -0.00100 0.00298 0.00000
AlT1(z) 0.01051 0.01364 0.00338 -0.00100 0.00298 0.00000
SiT2(o) 0.00554 0.01364 0.00338 -0.00100 0.00050 -0.00085
AlT2(o) 0.00554 0.01364 0.00338 -0.00100 0.00050 -0.00085
SiT2(z) 0.01021 0.01023 0.00506 0.00050 0.00248 0.00085
AlT2(z) 0.01021 0.01023 0.00506 0.00050 0.00248 0.00085
OA(1) 0.01138 0.01961 0.00506 0.00449 0.00397 -0.00170
OA(2) 0.00875 0.01450 0.01097 0.00399 0.00149 0.00339
OB(o) 0.01663 0.02388 0.01013 -0.00100 0.00844 -0.00170
OB(z) 0.01051 0.02644 0.01435 -0.00649 0.00794 0.00000
OC(o) 0.01255 0.02217 0.00591 -0.00549 0.00000 -0.00339
OC(z) 0.01255 0.01791 0.01519 -0.00249 0.00645 -0.00170
OD(o) 0.01693 0.02473 0.00844 0.00150 0.00298 0.00170
OD(z) 0.01051 0.02644 0.00506 0.00200 -0.00149 -0.00085