data_1007197 _chemical_name_systematic ; Rubidium cyclo-hexaphosphate tris(hexahydrogentellurate) trihydrate ; _chemical_formula_structural 'Rb6 (P6 O18) (Te (O H)6)3 (H2 O)4' _chemical_formula_sum 'H26 O40 P6 Rb6 Te3' _publ_section_title ; Crystal chemistry of cyclo-hexaphosphates. XVI.Structures of potassium cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo- hexaphosphate tritellurate tetrahydrate ; loop_ _publ_author_name 'Averbuch-Pouchot, M T' 'Durif, A' _journal_name_full 'Acta Crystallographica C (39,1983-)' _journal_coden_ASTM ACSCEE _journal_volume 47 _journal_year 1991 _journal_page_first 1576 _journal_page_last 1579 _cell_length_a 11.222(8) _cell_length_b 8.077(6) _cell_length_c 11.731(9) _cell_angle_alpha 111.11(2) _cell_angle_beta 104.66(2) _cell_angle_gamma 83.25(2) _cell_volume 959.2 _cell_formula_units_Z 1 _symmetry_space_group_name_H-M 'P -1' _symmetry_Int_Tables_number 2 _symmetry_cell_setting triclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_type_symbol _atom_type_oxidation_number Te6+ 6.000 Rb1+ 1.000 P5+ 5.000 O2- -2.000 H1+ 1.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Te1 Te6+ 1 a 0. 0. 0. 1. 0 d Te2 Te6+ 1 b 0. 0. 0.5 1. 0 d Te3 Te6+ 1 h 0.5 0.5 0.5 1. 0 d Rb1 Rb1+ 2 i 0.09874(4) 0.50476(6) 0.20369(5) 1. 0 d Rb2 Rb1+ 2 i 0.28192(5) 0.78401(6) 0.80670(5) 1. 0 d Rb3 Rb1+ 2 i 0.30979(5) 0.01054(9) 0.39746(6) 1. 0 d P1 P5+ 2 i 0.4291(1) 0.1608(1) 0.7742(1) 1. 0 d P2 P5+ 2 i 0.2224(1) 0.3856(1) 0.8636(1) 1. 0 d P3 P5+ 2 i 0.3651(1) 0.6012(1) 0.1024(1) 1. 0 d O1 O2- 2 i 0.0845(3) 0.7741(4) 0.9694(3) 1. 1 d O2 O2- 2 i 0.0686(3) 0.0342(4) 0.8756(3) 1. 1 d O3 O2- 2 i 0.1327(3) 0.1155(5) 0.1344(3) 1. 1 d O4 O2- 2 i 0.1051(3) 0.1872(5) 0.5280(3) 1. 1 d O5 O2- 2 i 0.1372(4) 0.8785(5) 0.5731(4) 1. 1 d O6 O2- 2 i 0.0421(3) 0.8856(5) 0.3403(3) 1. 1 d O7 O2- 2 i 0.4494(4) 0.7423(5) 0.5216(4) 1. 1 d O8 O2- 2 i 0.3717(4) 0.4266(6) 0.3524(4) 1. 1 d O9 O2- 2 i 0.3846(3) 0.4904(5) 0.5929(3) 1. 1 d O10 O2- 2 i 0.4619(3) 0.9720(4) 0.7622(3) 1. 0 d O11 O2- 2 i 0.4173(3) 0.2101(5) 0.6611(3) 1. 0 d O12 O2- 2 i 0.3082(3) 0.2087(4) 0.8288(3) 1. 0 d O13 O2- 2 i 0.4747(3) 0.7158(4) 0.1087(3) 1. 0 d O14 O2- 2 i 0.3193(3) 0.5362(4) 0.9513(3) 1. 0 d O15 O2- 2 i 0.1667(3) 0.4311(4) 0.7489(3) 1. 0 d O16 O2- 2 i 0.1428(3) 0.3579(4) 0.9380(3) 1. 0 d O17 O2- 2 i 0.2692(3) 0.7215(5) 0.1599(3) 1. 0 d O18 O2- 2 i 0.4123(4) 0.4468(5) 0.1421(3) 1. 0 d O19 O2- 2 i 0.3442(4) 0.0833(5) 0.0578(4) 1. 2 d O20 O2- 2 i 0.1329(4) 0.5120(6) 0.4702(5) 1. 2 d H1 H1+ 2 i 0.144(8) 0.76(1) 0.051(8) 1. 0 d H2 H1+ 2 i 0.083(9) 0.13(1) 0.895(9) 1. 0 d H3 H1+ 2 i 0.192(8) 0.11(1) 0.111(8) 1. 0 d H4 H1+ 2 i 0.128(9) 0.27(1) 0.620(9) 1. 0 d H5 H1+ 2 i 0.13(1) 0.77(1) 0.52(1) 1. 0 d H6 H1+ 2 i 0.001(9) 0.09(1) 0.725(9) 1. 0 d H7 H1+ 2 i 0.455(8) 0.78(1) 0.571(8) 1. 0 d H8 H1+ 2 i 0.382(9) 0.44(1) 0.276(9) 1. 0 d H9 H1+ 2 i 0.404(9) 0.37(1) 0.618(9) 1. 0 d H10 H1+ 2 i 0.390(9) 0.08(1) 0.129(9) 1. 0 d H11 H1+ 2 i 0.36(1) 0.20(2) 0.05(1) 1. 0 d H12 H1+ 2 i 0.100(8) 0.42(1) 0.468(8) 1. 0 d H13 H1+ 2 i 0.195(9) 0.50(1) 0.480(9) 1. 0 d _refine_ls_R_factor_all 0.03