data_global
_chemical_name_mineral 'Ktenasite'
loop_
_publ_author_name
'Mellini M'
'Merlino S'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 147 
_journal_year 1978
_journal_page_first 129
_journal_page_last 140
_publ_section_title
;
 Ktenasite, another mineral with 2[(Cu,Zn)2(OH)3O]- octahedral sheets
;
_database_code_amcsd 0010799
_chemical_compound_source 'Miniera Trentin, Vicenza, Italy'
_chemical_formula_sum 'Cu2.4 Zn2.6 S2 O20 H18'
_cell_length_a 5.589
_cell_length_b 6.166
_cell_length_c 23.751
_cell_angle_alpha 90
_cell_angle_beta 95.55
_cell_angle_gamma 90
_cell_volume 814.665
_exptl_crystal_density_diffrn      2.955
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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_occupancy
_atom_site_U_iso_or_equiv
Cu1  -0.01060   0.09950   0.24900   0.45000 ?
Zn1  -0.01060   0.09950   0.24900   0.55000 ?
Cu2   0.49900  -0.15080   0.24700   0.75000 ?
Zn2   0.49900  -0.15080   0.24700   0.25000 ?
Zn   0.00000   0.00000   0.00000   1.00000 ?
S   0.36000   0.05710   0.37380   1.00000 ?
O1   0.33280   0.09460   0.31280   1.00000 ?
O-h2   0.60730   0.10490   0.20960   1.00000 ?
O-h3   0.83960   0.35560   0.28960   1.00000 ?
O-h4   0.16350   0.34400   0.21490   1.00000 ?
O5   0.12640  -0.00710   0.39270   1.00000 ?
O6   0.44090   0.25940   0.40180   1.00000 ?
O7   0.53850  -0.11610   0.38590   1.00000 ?
Ow8   0.91630   0.06260   0.08270   1.00000 ?
Ow9   0.32810   0.16170   0.01890   1.00000 ?
Ow10   0.14360  -0.28900   0.02900   1.00000 ?
H2   0.59300   0.08300   0.17500   1.00000   0.02533
H3   0.85600   0.35000   0.32800   1.00000   0.02533
H4   0.15400   0.34400   0.18400   1.00000   0.02533
H81   0.98900   0.03100   0.10300   1.00000   0.02533
H82   0.78200   0.01700   0.07700   1.00000   0.02533
H91   0.36300   0.07800   0.01600   1.00000   0.02533
H92   0.36200   0.25000   0.04600   1.00000   0.02533
H101   0.20200  -0.23900   0.05600   1.00000   0.02533
H102   0.04200  -0.33300   0.05600   1.00000   0.02533
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 0.01536 0.01849 0.02831 0.00017 0.00466 0.00074
Zn1 0.01536 0.01849 0.02831 0.00017 0.00466 0.00074
Cu2 0.01709 0.02196 0.03114 -0.00104 0.00666 0.00000
Zn2 0.01709 0.02196 0.03114 -0.00104 0.00666 0.00000
Zn 0.02336 0.02716 0.02265 -0.00035 0.00466 0.00000
S 0.01285 0.01637 0.01132 0.00156 0.00333 -0.00222
O1 0.01097 0.02119 0.01699 0.00174 0.00400 0.00369
O-h2 0.01254 0.02119 0.01416 0.00000 0.00799 0.00000
O-h3 0.00627 0.02311 0.01699 0.00000 0.00266 0.00369
O-h4 0.01097 0.02311 0.01416 0.00000 0.00466 0.00222
O5 0.01724 0.03082 0.02831 0.00000 0.01399 0.00000
O6 0.02508 0.02504 0.03964 0.00348 -0.00799 -0.01994
O7 0.02508 0.02504 0.02265 0.01564 0.00067 0.00148
Ow8 0.02352 0.03274 0.01982 0.00000 0.00266 -0.00148
Ow9 0.02038 0.03082 0.02831 -0.00869 0.00333 -0.00443
Ow10 0.02822 0.02697 0.02265 0.00174 0.00333 0.00295