data_global
_chemical_name_mineral 'Brochantite'
loop_
_publ_author_name
'Merlino S'
'Perchiazzi N'
'Franco D'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 15 
_journal_year 2003
_journal_page_first 267
_journal_page_last 275
_publ_section_title
;
 Brochantite, Cu4SO4(OH)6: OD character, polytypism and crystal structures
 Sample: MDO_2 polytype
;
_database_code_amcsd 0006972
_chemical_compound_source 'Capo Calamita, Elba island, Tuscany, Italy'
_chemical_formula_sum 'Cu4 S (O10 H6)'
_cell_length_a 12.776
_cell_length_b 9.869
_cell_length_c 6.026
_cell_angle_alpha 90.15
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 759.794
_exptl_crystal_density_diffrn      3.954
_symmetry_space_group_name_H-M 'P 21/n 1 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-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_U_iso_or_equiv
Cu1   0.20660   0.99020   0.37700   0.01180
Cu2   0.20190   0.99060  -0.12490   0.01350
Cu3   0.11830   0.26080   0.12610   0.01110
Cu4   0.12050   0.25690   0.62580   0.01090
S   0.38810   0.19910   0.12260   0.01500
O-H1   0.09100   0.13000   0.37400   0.01600
O-H2   0.08400   0.13600  -0.12500   0.00900
O-H3   0.15800   0.38100   0.37400   0.01400
O-H4   0.15800   0.38500  -0.12200   0.01200
O-H5   0.25800   0.09400   0.62800   0.02300
O-H6   0.14200   0.89700   0.12400   0.01900
O7   0.27500   0.14100   0.12600   0.02300
O8   0.38300   0.35200   0.12500   0.01600
O9   0.44200   0.14700  -0.08400   0.02300
O10   0.44300   0.15000   0.32900   0.02000