data_global
_chemical_name_mineral 'Rumseyite'
loop_
_publ_author_name
'Turner R W'
'Siidra O I'
'Krivovichev S V'
'Stanley C J'
'Spratt J'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 76 
_journal_year 2012
_journal_page_first 1247
_journal_page_last 1255
_publ_section_title
;
 Rumseyite, [Pb2OF]Cl, the first naturally occurring fluoroxychloride
 mineral with the parent crystal structure for layered lead oxychlorides
;
_database_code_amcsd 0019618
_chemical_compound_source 'Merehead quarry, Somerset, England'
_chemical_formula_sum 'Pb2 (O F) Cl'
_cell_length_a 4.065
_cell_length_b 4.065
_cell_length_c 12.631
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 208.717
_exptl_crystal_density_diffrn      7.715
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
Pb   0.00000   0.00000   0.14690   1.00000   0.06100
OF   0.50000   0.00000   0.25000   0.50000   0.04900
FO   0.50000   0.00000   0.25000   0.50000   0.04900
Cl   0.50000   0.50000   0.00000   1.00000   0.05600
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
Pb 0.06500 0.06500 0.05200 0.00000 0.00000 0.00000
OF 0.04900 0.04900 0.05000 0.00000 0.00000 0.00000
FO 0.04900 0.04900 0.05000 0.00000 0.00000 0.00000
Cl 0.06200 0.06200 0.04300 0.00000 0.00000 0.00000