data_global
_chemical_name_mineral 'Cyanochroite'
loop_
_publ_author_name
'Bosi F'
'Belardi G'
'Ballirano P'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 74
_journal_page_last 82
_publ_section_title
;
 Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2,
 with M2+= Mg, Fe, Co, Ni, Cu, and Zn
;
_database_code_amcsd 0004780
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K2 Cu S2 O14 H12'
_cell_length_a 9.0851
_cell_length_b 12.1302
_cell_length_c 6.1674
_cell_angle_alpha 90
_cell_angle_beta 104.450
_cell_angle_gamma 90
_cell_volume 658.172
_exptl_crystal_density_diffrn      2.230
_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
K   0.12305   0.34736   0.34202   0.02853
CuM   0.00000   0.00000   0.00000   0.01548
S   0.40127   0.13607   0.72269   0.01757
O1   0.39830   0.23523   0.58270   0.03160
O2   0.54389   0.07577   0.74090   0.03590
O3   0.27318   0.06377   0.61100   0.02300
O4   0.38523   0.16801   0.94724   0.02730
OW1   0.16072   0.11203   0.16360   0.02610
OW2  -0.18654   0.11833   0.03690   0.02700
OW3  -0.00266  -0.06475   0.28730   0.02040
H11   0.19400   0.09300   0.29500   0.05500
H12   0.22800   0.12200   0.09800   0.04400
H21  -0.26500   0.10800  -0.05200   0.04700
H22  -0.16100   0.18400   0.00500   0.05500
H31  -0.07400  -0.06100   0.32500   0.05900
H32   0.03300  -0.13100   0.31600   0.06400
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
K 0.02998 0.03057 0.02703 -0.00119 0.01086 -0.00043
CuM 0.01541 0.01697 0.01406 -0.00243 0.00367 0.00068
S 0.01673 0.01915 0.01706 -0.00278 0.00465 -0.00135
O1 0.04660 0.02330 0.02450 -0.01090 0.00790 0.00350
O2 0.01930 0.04820 0.03810 0.00760 0.00330 -0.00760
O3 0.02010 0.02580 0.02360 -0.00760 0.00620 -0.00520
O4 0.03570 0.02950 0.01880 -0.00310 0.01000 -0.00440
OW1 0.02380 0.03460 0.01920 -0.00580 0.00430 0.00260
OW2 0.02350 0.02820 0.02820 -0.00210 0.00450 0.00310
OW3 0.02220 0.02200 0.01880 0.00140 0.00810 0.00330