data_global
_chemical_name_mineral 'Verplanckite'
loop_
_publ_author_name
'Kampf A R'
'Khan A A'
'Baur W H'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 29 
_journal_year 1973
_journal_page_first 2019
_journal_page_last 2021
_publ_section_title
;
 Barium chloride silicate with an open framework: verplanckite
;
_database_code_amcsd 0009485
_chemical_compound_source 'Esquire No. 7 mine, Big Creek, Fresno County, California, USA'
_chemical_formula_sum 'Ba6 (Mn2.082 Ti.768 Fe.15) Si6 O19 Cl4.6 H.5'
_cell_length_a 16.398
_cell_length_b 16.398
_cell_length_c 7.200
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1676.660
_exptl_crystal_density_diffrn      3.208
_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   0.34840   0.00000   0.00000   1.00000   0.03673
Ba2   0.21640   0.43280   0.50000   1.00000   0.02786
MnX   0.26060   0.52120   0.00000   0.69400   0.01267
TiX   0.26060   0.52120   0.00000   0.25600   0.01267
FeX   0.26060   0.52120   0.00000   0.05000   0.01267
Si   0.44400   0.88800   0.27400   1.00000   0.01520
O1   0.16000   0.49900   0.19700   1.00000   0.02913
O2   0.50000   0.00000   0.20600   1.00000   0.01140
O3   0.44100   0.88200   0.50000   1.00000   0.10132
O4   0.33333   0.66667   0.00000   0.50000   0.03800
O-H4   0.33333   0.66667   0.00000   0.50000   0.03800
Cl1   0.33333   0.66667   0.50000   1.00000   0.06333
Cl2   0.14200   0.28400   0.11800   0.30000   0.02533
Cl3   0.30100   0.00000   0.50000   0.60000   0.06333