data_global
_chemical_name_mineral 'Mottramite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 33 
_journal_year 1995
_journal_page_first 1119
_journal_page_last 1124
_publ_section_title
;
 The crystal structure of mottramite, and the nature of Cu=Zn solid solution in
 the mottramite-descloizite series
;
_database_code_amcsd 0005468
_chemical_formula_sum 'Cu Pb V H O5'
_cell_length_a 7.667
_cell_length_b 6.053
_cell_length_c 9.316
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 432.340
_exptl_crystal_density_diffrn      6.187
_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_U_iso_or_equiv
Cu   0.50000   0.00000   0.00000 ?
Pb   0.13186   0.25000   0.17374 ?
V   0.87780   0.75000   0.19390 ?
H   0.71000   0.25000  -0.02000   0.02000
O1   0.88470   0.50700   0.29540 ?
O2   0.05300   0.75000   0.08500 ?
O3   0.70300   0.75000   0.08100 ?
O-h   0.63700   0.25000   0.06300 ?
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
Cu 0.01810 0.01770 0.01270 0.00010 0.00130 -0.00110
Pb 0.01680 0.02760 0.01420 0.00000 0.00020 0.00000
V 0.01500 0.01450 0.01190 0.00000 0.00090 0.00000
O1 0.01990 0.01720 0.02160 -0.00540 -0.00130 0.00110
O2 0.01700 0.02990 0.02260 0.00000 0.00530 0.00000
O3 0.01310 0.01840 0.01590 0.00000 -0.00110 0.00000
O-h 0.02110 0.00520 0.01470 0.00000 -0.00160 0.00000