data_global
_chemical_name_mineral 'Verplanckite'
loop_
_publ_author_name
'Basciano L C'
_journal_name_full 'Master's Thesis, University of British Columbia'
_journal_volume 1999 
_journal_year 1999
_journal_page_first 1
_journal_page_last 164
_publ_section_title
;
 Mineralogy and crystal structures of barium silicate minerals
 from Fresno County, California
;
_database_code_amcsd 0014200
_chemical_compound_source 'Esquire #7, Big Creek, Fresno County, California, USA'
_chemical_formula_sum 'Ba6 (Mn2.01 Ti.99) Si6 Cl6.391 O18'
_cell_length_a 16.300
_cell_length_b 16.300
_cell_length_c 7.169
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1649.546
_exptl_crystal_density_diffrn      3.352
_symmetry_space_group_name_H-M 'P 6/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x,x-y,-z'
  '-x+y,-x,-z'
  'x-y,x,z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x+y,y,-z'
  'x,y,-z'
  '-x,-y,z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x-y,-z'
  'y,-x+y,z'
  '-x+y,y,z'
  'x-y,-y,-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
Ba1   0.21601   0.43202   0.00000   1.00000   0.02470
Ba2   0.34704   0.00000   0.50000   1.00000   0.03660
MnX   0.26051   0.52100   0.50000   0.67000   0.01630
TiX   0.26051   0.52100   0.50000   0.33000   0.01630
Si   0.55601   0.11200   0.22550   1.00000   0.01650
Cl1   0.31180   0.00000   0.00000   0.40900   0.04610
Cl2   0.33333   0.66667   0.00000   0.76000   0.03440
Cl3   0.14180   0.28360   0.36900   0.37800   0.08620
Cl4   0.33333   0.66667   0.50000   0.60000   0.09800
Cl5   0.27300   0.00000   0.11300   0.25600   0.06870
O1   0.15780   0.49540   0.30110   1.00000   0.02740
O2   0.55710   0.11420   0.00000   1.00000   0.05870
O3   0.50000   0.00000   0.29100   1.00000   0.01910
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
Ba1 0.02670 0.04630 0.01290 0.02320 0.00000 0.00000
Ba2 0.02260 0.01610 0.06880 0.00810 0.00000 0.00000
MnX 0.01370 0.02670 0.01280 0.01330 0.00000 0.00000
TiX 0.01370 0.02670 0.01280 0.01330 0.00000 0.00000
Si 0.02620 0.01040 0.00760 0.00520 -0.00050 -0.00110
Cl1 0.07090 0.01960 0.03090 0.00980 0.00000 0.00000
Cl2 0.03310 0.03310 0.03690 0.01650 0.00000 0.00000
Cl3 0.03490 0.07800 0.16020 0.03900 0.02590 0.05190
Cl4 0.06610 0.06610 0.16180 0.03310 0.00000 0.00000
Cl5 0.07820 0.03410 0.07910 0.01710 -0.05460 0.00000
O1 0.02580 0.03970 0.02310 0.02120 -0.00300 -0.00740
O2 0.11670 0.02350 0.00470 0.01170 0.00000 0.00000
O3 0.02420 0.01250 0.01670 0.00630 0.00000 0.00000