data_global
_chemical_name_mineral 'Montetrisaite'
loop_
_publ_author_name
'Orlandi P'
'Bonaccorsi E'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 47 
_journal_year 2009
_journal_page_first 143
_journal_page_last 151
_publ_section_title
;
 Montetrisaite, a new hydroxy-hydrated copper sulfate species
 from Monte Trisa, Vicenza, Italy
;
_database_code_amcsd 0006275
_chemical_compound_source 'Monte Trisa, Vicenza, Italy'
_chemical_formula_sum 'Cu3 S.5 O8 H7'
_cell_length_a 2.989
_cell_length_b 16.970
_cell_length_c 14.812
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 751.314
_exptl_crystal_density_diffrn      3.021
_symmetry_space_group_name_H-M 'C m c 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cul   0.00000   0.03630   0.53690   1.00000   0.03300
Cu2   0.50000   0.86850   0.51330   1.00000   0.02700
Cu3   0.50000   0.20060   0.49500   1.00000   0.02400
S   0.00000   0.82730   0.30200   0.50000   0.07900
O1   0.00000   0.81800   0.40300   0.50000   0.04400
O-H1b   0.00000   0.84000   0.44500   0.50000   0.04100
O-H2   0.50000   0.98000   0.47200   1.00000   0.05200
O-H3   0.00000   0.88300   0.59200   0.50000   0.07800
Wat3b   0.00000   0.90200   0.65100   0.50000   0.08900
O-H4   0.50000   0.08520   0.59400   1.00000   0.04600
Wat5   0.50000   0.98200   0.78900   0.50000   0.03800
O-H6   0.50000   0.75200   0.55700   1.00000   0.03700
O-H7   0.00000   0.14800   0.43400   1.00000   0.04900
O8   0.00000   0.75000   0.25300   0.50000   0.09000
O9   0.50000   0.85100   0.28400   1.00000   0.08000