data_global
_chemical_name_mineral 'Mottramite'
loop_
_publ_author_name
'Permer L'
'Laligant Y'
'Ferey G'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 30 
_journal_year 1993
_journal_page_first 383
_journal_page_last 392
_publ_section_title
;
 Crystal structure of (Pb2.8Fe1.2)Cu4O1.6(VO4)4(OH)2;
 structural relationships with mineral gamagarite
 _cod_database_code 1000426
;
_database_code_amcsd 0012569
_chemical_formula_sum '(Fe.28 Pb.72) V Cu O4.9 H.5'
_cell_length_a 7.525
_cell_length_b 5.900
_cell_length_c 9.640
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 427.992
_exptl_crystal_density_diffrn      5.559
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-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_occupancy
Fe   0.37670   0.25000   0.17880   0.28000
Pb   0.37670   0.25000   0.17880   0.72000
V   0.86130   0.25000   0.67100   1.00000
Cu   0.00000   0.00000   0.00000   1.00000
O1   0.17600   0.25000   0.94800   1.00000
O2   0.54000   0.25000  -0.07100   1.00000
O3   0.36900   0.48800   0.72900   1.00000
O4   0.85600   0.25000   0.06600   0.90000
H   0.74000   0.25000   0.00000   0.50000
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
Fe 0.00940 0.01580 0.01140 0.00000 0.00040 0.00000
Pb 0.00940 0.01580 0.01140 0.00000 0.00040 0.00000
V 0.00800 0.00900 0.01400 0.00000 -0.00700 0.00000
Cu 0.01200 0.00700 0.01500 0.00070 0.00300 -0.00060
O1 0.01800 0.00600 0.03100 0.00000 -0.00300 0.00000
O2 0.01500 0.02400 0.01900 0.00000 -0.00700 0.00000
O3 0.02200 0.01300 0.02200 -0.00300 0.01100 -0.01100
O4 0.01500 0.01000 0.01800 0.00000 0.00500 0.00000