data_global
_chemical_name_mineral 'Antlerite'
loop_
_publ_author_name
'Hawthorne F C'
'Groat L A'
'Eby R K'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 27 
_journal_year 1989
_journal_page_first 205
_journal_page_last 209
_publ_section_title
;
 Antlerite, Cu3SO4(OH)4, a heteropolyhedral wallpaper structure
;
_database_code_amcsd 0005229
_chemical_compound_source 'Torre Capdulla, Lerida, Italy'
_chemical_formula_sum 'Cu3 S O8 H4'
_cell_length_a 8.244
_cell_length_b 6.043
_cell_length_c 11.987
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 597.174
_exptl_crystal_density_diffrn      3.946
_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
Cu1   0.00490   0.25000   0.00135 ?
Cu2   0.28982   0.00278   0.12585 ?
S   0.13040   0.25000   0.36420 ?
O1   0.26180   0.25000   0.28290 ?
O2   0.19790   0.25000   0.47780 ?
O3   0.03120   0.04810   0.34770 ?
O-h1   0.28090   0.25000   0.02500 ?
O-h2   0.70100   0.25000   0.77920 ?
O-h3   0.04690   0.50600   0.10160 ?
H1   0.37300   0.25000   0.97100   0.01000
H2   0.22000   0.75000   0.26100   0.01000
H3   0.49700   0.02500   0.66000   0.01000
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
Cu1 0.01450 0.00810 0.01370 0.00000 -0.00330 0.00000
Cu2 0.01260 0.00970 0.01460 -0.00010 -0.00200 0.00120
S 0.01090 0.01000 0.01080 0.00000 0.00030 0.00000
O1 0.01450 0.01540 0.02090 0.00000 0.00220 0.00000
O2 0.02160 0.01440 0.01430 0.00000 -0.00600 0.00000
O3 0.01370 0.01200 0.02180 -0.00150 0.00150 -0.00240
O-h1 0.01500 0.01110 0.01370 0.00000 0.00040 0.00000
O-h2 0.01300 0.01140 0.01420 0.00000 -0.00060 0.00000
O-h3 0.01410 0.01290 0.01100 0.00180 0.00100 -0.00120