data_global
_amcsd_formula_title 'RbCu2(OH)(SO4)2(H2O)'
loop_
_publ_author_name
'Giester G'
'Zemann J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 179 
_journal_year 1987
_journal_page_first 431
_journal_page_last 442
_publ_section_title
;
 The crystal structure of the natrochalcite-type compounds (Me+)Cu2(OH)(zO4)2*H2O
 [Me+ = Na,K,Rb; z = S,Se], with special reference to the hydrogen bonds
;
_database_code_amcsd 0010970
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Rb Cu2 S2 O10 H3'
_cell_length_a 9.005
_cell_length_b 6.305
_cell_length_c 7.802
_cell_angle_alpha 90
_cell_angle_beta 116.22
_cell_angle_gamma 90
_cell_volume 397.391
_exptl_crystal_density_diffrn      3.675
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb   0.00000   0.50000   0.50000   1.00000
Cu   0.25000   0.25000   0.00000   1.00000
S   0.07277   0.00000   0.27646   1.00000
O1   0.18190   0.00000   0.17980   1.00000
O2   0.16950   0.00000   0.48190   1.00000
O3  -0.03440   0.19310   0.21550   1.00000
O-H4   0.15480   0.50000   0.07320   0.50000
Wat4   0.15480   0.50000   0.07320   0.50000
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
Rb 0.01060 0.02280 0.01130 0.00000 0.00290 0.00000
Cu 0.00710 0.00950 0.01480 0.00040 0.00370 -0.00090
S 0.00700 0.01060 0.00990 0.00000 0.00310 0.00000
O1 0.01160 0.01530 0.01440 0.00000 0.00700 0.00000
O2 0.01300 0.02520 0.01120 0.00000 0.00270 0.00000
O3 0.00980 0.01040 0.01780 0.00110 0.00330 -0.00130
O-H4 0.00910 0.01050 0.01760 0.00000 0.00660 0.00000
Wat4 0.00910 0.01050 0.01760 0.00000 0.00660 0.00000