data_global
_chemical_name_mineral 'Brendelite'
loop_
_publ_author_name
'Krause W'
'Bernhardt H J'
'McCammon C'
'Effenberger H'
_journal_name_full 'Mineralogy and Petrology'
_journal_volume 63 
_journal_year 1998
_journal_page_first 263
_journal_page_last 277
_publ_section_title
;
 Brendelite, (Bi,Pb)2Fe3+,2+O2(OH)(PO4), a new mineral from
 Schneeberg, Germany: description and crystal structure
;
_database_code_amcsd 0014642
_chemical_compound_source 'Schneeberg, Germany'
_chemical_formula_sum '(Bi Pb) Fe P O7 H'
_cell_length_a 12.278
_cell_length_b 3.815
_cell_length_c 6.899
_cell_angle_alpha 90
_cell_angle_beta 111.14
_cell_angle_gamma 90
_cell_volume 301.406
_exptl_crystal_density_diffrn      6.788
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Bi   0.76119   0.00000   0.22804   0.50000   0.02550
Pb   0.76119   0.00000   0.22804   0.50000   0.02550
Fe   0.00000   0.00000   0.00000   1.00000   0.01710
P   0.52850   0.00000   0.39420   0.50000   0.02000
Oo   0.16990   0.00000   0.01970   1.00000   0.02400
O-H   0.52550   0.00000   0.10440   0.50000   0.01700
Op1   0.39930   0.00000   0.35670   1.00000   0.02300
Op2   0.56380   0.33200   0.30200   0.50000   0.02600
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
Bi 0.02310 0.02160 0.03260 0.00000 0.01110 0.00000
Pb 0.02310 0.02160 0.03260 0.00000 0.01110 0.00000
Fe 0.01520 0.01430 0.02210 0.00000 0.00720 0.00000
P 0.01700 0.02500 0.01400 0.00000 0.00200 0.00000
Oo 0.02500 0.01800 0.03300 0.00000 0.01700 0.00000
O-H 0.02600 0.01400 0.00900 0.00000 0.00300 0.00000
Op1 0.01100 0.03200 0.02300 0.00000 0.00300 0.00000
Op2 0.02800 0.02700 0.02800 0.00300 0.01600 0.00700