data_global
_chemical_name_mineral 'Wesselsite'
loop_
_publ_author_name
'Knight K S'
'Henderson C M B'
'Clark S M'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 22 
_journal_year 2010
_journal_page_first 411
_journal_page_last 423
_publ_section_title
;
 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10)
 solid solution
 Sample: x = .402
;
_database_code_amcsd 0018771
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Ba.402 Sr.598) Cu Si4 O10'
_cell_length_a 7.38801
_cell_length_b 7.38801
_cell_length_c 15.8265
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 863.853
_exptl_crystal_density_diffrn      3.410
_symmetry_space_group_name_H-M 'P 4/n c c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2-z'
  '1/2+y,-x,-z'
  '1/2-y,x,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,1/2+x,-z'
  'y,1/2-x,z'
  '1/2-x,y,1/2+z'
  '1/2+x,-y,1/2-z'
  '-x,-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
Ba   0.25000   0.75000   0.00000   0.40200   0.07200
Sr   0.25000   0.75000   0.00000   0.59800   0.07200
Cu   0.25000   0.25000   0.09190   1.00000   0.08600
Si   0.51160   0.93330   0.15210   1.00000   0.04700
O1   0.45150   0.98670   0.24550   0.50000   0.11600
O2   0.71770   0.00040   0.13370   1.00000   0.10000
O3   0.37360   0.02300   0.08830   1.00000   0.11000