data_global
_chemical_name_mineral 'Vanadinite'
loop_
_publ_author_name
'Dai Y S'
'Hughes J M'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 27 
_journal_year 1989
_journal_page_first 189
_journal_page_last 192
_publ_section_title
;
 Crystal-structure refinements of vanadinite and pyromorphite
;
_database_code_amcsd 0005225
_chemical_formula_sum 'Pb5 V3 O12 Cl'
_cell_length_a 10.3174
_cell_length_b 10.3174
_cell_length_c 7.3378
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 676.452
_exptl_crystal_density_diffrn      6.953
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-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_U_iso_or_equiv
Pb1   0.33333   0.66667   0.00770 ?
Pb2   0.25484   0.01209   0.25000 ?
V   0.40970   0.38400   0.25000 ?
O1   0.33300   0.49700   0.25000   0.00320
O2   0.59900   0.48500   0.25000   0.00390
O3   0.35900   0.26900   0.06500   0.00600
Cl   0.00000   0.00000   0.00000   0.00480
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 0.01658 0.01658 0.00682 0.00829 0.00000 0.00000
Pb2 0.01011 0.01537 0.01991 0.00627 0.00000 0.00000
V 0.00971 0.00930 0.00191 0.00506 0.00000 0.00000