data_global _amcsd_formula_title 'Nb30 O90 Rb12 W3' loop_ _publ_author_name 'Michel C' 'Guyomarch A' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 22 _journal_year 1977 _journal_page_first 393 _journal_page_last 403 _publ_section_title ; Nouveaux echangeurs cationiques avec une structure a tunnels entrecroises: les oxides A12M33O90 et A12M33O90(H2O)12 _cod_database_code 1001017 ; _database_code_amcsd 0013353 _chemical_formula_sum 'Rb4 (Nb9.999 W1.001) O30' _cell_length_a 7.486 _cell_length_b 7.486 _cell_length_c 43.10 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2091.739 _exptl_crystal_density_diffrn 4.608 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb1 0.00000 0.00000 0.26590 1.00000 Rb2 0.00000 0.00000 0.45380 1.00000 Nb1 0.50000 0.00000 0.50000 0.90900 W1 0.50000 0.00000 0.50000 0.09100 Nb2 0.00000 0.00000 0.09980 0.90900 W2 0.00000 0.00000 0.09980 0.09100 Nb3 0.49940 -0.49940 0.30330 0.90900 W3 0.49940 -0.49940 0.30330 0.09100 O1 0.52340 -0.52340 0.35280 1.00000 O2 0.54310 -0.54310 0.26450 1.00000 O3 0.21620 -0.21620 0.30320 1.00000 O4 0.20980 -0.20980 0.49230 1.00000 O5 0.21200 -0.21200 0.78930 1.00000