data_global
_amcsd_formula_title 'RbCu2(SO4)2(OH)(H2O)'
loop_
_publ_author_name
'Chevrier G'
'Giester G'
'Zemann J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 206 
_journal_year 1993
_journal_page_first 7
_journal_page_last 14
_publ_section_title
;
 Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2:
 Variation of the hydrogen bond system in the natrochalcite-type series
;
_database_code_amcsd 0011041
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Rb Cu2 S2 O10 H3'
_cell_length_a 9.246
_cell_length_b 6.483
_cell_length_c 7.940
_cell_angle_alpha 90
_cell_angle_beta 116.11
_cell_angle_gamma 90
_cell_volume 427.369
_exptl_crystal_density_diffrn      3.417
_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
Rb1   0.00000   0.50000   0.50000   1.00000
Cu1   0.25000   0.25000   0.00000   1.00000
S1   0.07200   0.00000   0.27890   1.00000
O1   0.18740   0.00000   0.16970   1.00000
O2   0.18010   0.00000   0.50290   1.00000
O3  -0.04130   0.20930   0.21610   1.00000
O-h   0.15650   0.50000   0.07270   1.00000
H1   0.02770   0.50000   0.02100   0.50000
H2   0.19720   0.50000   0.20890   1.00000
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
Rb1 0.01280 0.01790 0.00990 0.00000 0.00300 0.00000
Cu1 0.00700 0.00810 0.01080 -0.00020 0.00280 -0.00060
S1 0.00660 0.00770 0.00740 0.00000 0.00250 0.00000
O1 0.01240 0.01320 0.01510 0.00000 0.00830 0.00000
O2 0.01570 0.02720 0.00850 0.00000 0.00170 0.00000
O3 0.01130 0.00910 0.01390 0.00190 0.00230 -0.00140
O-h 0.01070 0.01070 0.01510 0.00000 0.00580 0.00000
H1 0.02210 0.02580 0.03240 0.00000 0.01650 0.00000
H2 0.03390 0.03270 0.02240 0.00000 0.01350 0.00000