data_global _amcsd_formula_title 'RbCu2(OH)(SeO4)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 0010969 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Rb Cu2 Se2 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 4.146 _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 Se 0.07206 0.00000 0.27885 1.00000 O1 0.18800 0.00000 0.16970 1.00000 O2 0.17970 0.00000 0.50310 1.00000 O3 -0.04150 0.20940 0.21560 1.00000 O-H4 0.15570 0.50000 0.07190 0.50000 Wat4 0.15570 0.50000 0.07190 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 0.01470 0.02080 0.01170 0.00000 0.00280 0.00000 Cu 0.00990 0.01110 0.01390 0.00000 0.00310 -0.00090 Se 0.00930 0.01050 0.00970 0.00000 0.00250 0.00000 O1 0.01800 0.01730 0.01940 0.00000 0.01270 0.00000 O2 0.01730 0.03140 0.00870 0.00000 0.00030 0.00000 O3 0.01340 0.01170 0.01850 0.00170 0.00270 -0.00190 O-H4 0.01560 0.01320 0.01760 0.00000 0.00750 0.00000 Wat4 0.01560 0.01320 0.01760 0.00000 0.00750 0.00000