data_global
_chemical_name_mineral 'Fornacite'
loop_
_publ_author_name
'Ksenofontov D A'
'Kabalov Y K'
'Pekov I V'
'Zubkova N V'
'Ekimenkova I A'
'Pushcharovskii D Y'
_journal_name_full 'Doklady Earth Sciences'
_journal_volume 456 
_journal_year 2014
_journal_page_first 520
_journal_page_last 523
_publ_section_title
;
 Refinement of the crystal structure of fornacite using the Rietveld method
;
_database_code_amcsd 0020506
_chemical_compound_source 'Berezovskii deposit, Central Urals, Russia'
_chemical_formula_sum 'Pb2 Cu (As.79 P.21) Cr O9 H'
_cell_length_a 8.09015
_cell_length_b 5.90913
_cell_length_c 17.4839
_cell_angle_alpha 90
_cell_angle_beta 109.99
_cell_angle_gamma 90
_cell_volume 785.474
_exptl_crystal_density_diffrn      6.263
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+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_occupancy
_atom_site_U_iso_or_equiv
Pb1   0.21750   0.22720   0.37480   1.00000   0.02888
Pb2   0.22370   0.76890   0.05940   1.00000   0.02647
Cu1   0.48870   0.50230   0.24850   1.00000   0.02026
As1   0.48540   0.23610   0.07980   0.79000   0.00887
P1   0.48540   0.23610   0.07980   0.21000   0.00887
Cr1   0.04860   0.26030   0.15830   1.00000   0.02406
O1   0.54140   0.01410   0.14720   1.00000   0.01900
O2   0.46740   0.49200   0.13940   1.00000   0.03166
O3   0.29530   0.20760   0.01500   1.00000   0.03673
O4   0.64220   0.29850   0.04460   1.00000   0.03420
O5   0.99350   0.03060   0.10040   1.00000   0.01393
O6  -0.00730   0.47840   0.09410   1.00000   0.03800
O7   0.25370   0.24930   0.22060   1.00000   0.03293
O8   0.93720   0.26730   0.22280   1.00000   0.02913
O-H9   0.34510   0.76920   0.21360   1.00000   0.02406