data_global
_chemical_name_mineral 'Barysilite'
loop_
_publ_author_name
'Kolitsch U'
'Holtstam D'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 66 
_journal_year 2002
_journal_page_first 353
_journal_page_last 363
_publ_section_title
;
 Barysilite from Garpenberg Norra, Dalarna, Sweden: occurrence and crystal structure refinement
;
_database_code_amcsd 0014563
_chemical_compound_source 'Garpenberg Nora mine, Dalarna, Sweden'
_chemical_formula_sum 'Pb7.818 Ca.182 Mn Si6 O21'
_cell_length_a 9.804
_cell_length_b 9.804
_cell_length_c 38.416
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 3197.785
_exptl_crystal_density_diffrn      6.813
_symmetry_space_group_name_H-M 'R -3 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,1/2+z'
  '2/3+x,1/3+x-y,5/6+z'
  '1/3+x,2/3+x-y,1/6+z'
  'y,x,1/2-z'
  '2/3+y,1/3+x,5/6-z'
  '1/3+y,2/3+x,1/6-z'
  '-x+y,y,1/2+z'
  '2/3-x+y,1/3+y,5/6+z'
  '1/3-x+y,2/3+y,1/6+z'
  '-x,-x+y,1/2-z'
  '2/3-x,1/3-x+y,5/6-z'
  '1/3-x,2/3-x+y,1/6-z'
  '-y,-x,1/2+z'
  '2/3-y,1/3-x,5/6+z'
  '1/3-y,2/3-x,1/6+z'
  'x-y,-y,1/2-z'
  '2/3+x-y,1/3-y,5/6-z'
  '1/3+x-y,2/3-y,1/6-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
Pb1   0.25627   0.23661   0.03950   1.00000   0.00562
Pb2   0.00000   0.00000   0.16264   0.90900   0.00605
Ca   0.00000   0.00000   0.16264   0.09100   0.00605
Mn   0.00000   0.00000   0.25000   1.00000   0.00270
Si   0.59781   0.60219   0.04882   1.00000   0.00100
O1   0.61290   0.00000   0.25000   1.00000   0.00340
O2   0.62300   0.71480   0.01576   1.00000   0.01000
O3   0.70690   0.52150   0.04550   1.00000   0.00400
O4   0.41420   0.47680   0.05626   1.00000   0.00850
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
Pb1 0.00412 0.00347 0.00719 0.00033 -0.00097 -0.00086
Pb2 0.00610 0.00610 0.00590 0.00305 0.00000 0.00000
Ca 0.00610 0.00610 0.00590 0.00305 0.00000 0.00000
Mn 0.00200 0.00200 0.00400 0.00100 0.00000 0.00000