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_1 polytype
;
_database_code_amcsd 0006971
_chemical_compound_source 'Val Fucinaia, Tuscany, Italy'
_chemical_formula_sum 'Cu4 S (O10 H6)'
_cell_length_a 13.140
_cell_length_b 9.863
_cell_length_c 6.024
_cell_angle_alpha 90
_cell_angle_beta 103.16
_cell_angle_gamma 90
_cell_volume 760.206
_exptl_crystal_density_diffrn      3.952
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-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   0.20610   0.99110   0.47990   0.02070
Cu2   0.20230   0.99080  -0.02370   0.02440
Cu3   0.11810   0.26140   0.18190   0.01850
Cu4   0.11990   0.25710   0.68480   0.01970
S   0.38770   0.19890   0.31670   0.02330
O-H1   0.09360   0.13250   0.41700   0.02200
O-H2   0.08270   0.13450  -0.08200   0.02200
O-H3   0.15900   0.38230   0.45400   0.02100
O-H4   0.15560   0.38260  -0.05200   0.02000
O-H5   0.25590   0.09360   0.75800   0.02200
O-H6   0.14280   0.89910   0.19800   0.02300
O7   0.27970   0.14500   0.26000   0.02700
O8   0.38220   0.35100   0.31200   0.02800
O9   0.44350   0.14900   0.14200   0.02900
O10   0.44150   0.15200   0.54700   0.02600