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 = .276
;
_database_code_amcsd 0018770
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Ba.276 Sr.724) Cu Si4 O10'
_cell_length_a 7.37735
_cell_length_b 7.37735
_cell_length_c 15.7266
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 855.925
_exptl_crystal_density_diffrn      3.393
_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   0.27600   0.04800
Sr   0.25000   0.75000   0.00000   0.72400   0.04800
Cu   0.25000   0.25000   0.09080   1.00000   0.08400
Si   0.50970   0.93210   0.15150   1.00000   0.06200
O1   0.45030   0.98530   0.24540   0.50000   0.11000
O2   0.71670   0.00120   0.13280   1.00000   0.09900
O3   0.37120   0.02190   0.08760   1.00000   0.09700