data_global _amcsd_formula_title 'H192 N36 O132 P12 Te12' loop_ _publ_author_name 'Averbuch-Pouchot M' 'Schuelke U' _journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie' _journal_volume 622 _journal_year 1996 _journal_page_first 1997 _journal_page_last 2002 _publ_section_title ; Preparation and crystal structure of guanidinium cyclododecaphosphate telluric acid hydrate: (C (N H2)2)12 P12 O36. 12Te (O H)6 . 24H2 O _cod_database_code 1008859 ; _database_code_amcsd 0016725 _chemical_formula_sum 'Te2 P2 O22 N6 C2 H26' _cell_length_a 15.854 _cell_length_b 15.854 _cell_length_c 51.259980000 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 11158.010 _exptl_crystal_density_diffrn 2.152 _symmetry_space_group_name_H-M 'R -3' 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' '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 Te1 0.00006 0.33201 0.22684 1.00000 Te2 0.99969 0.33401 0.42689 1.00000 P1 0.42660 0.02240 0.31011 1.00000 P2 0.30010 0.10520 0.31901 1.00000 O1 0.43800 0.42210 0.46180 1.00000 O2 0.35530 0.44810 0.41990 1.00000 O3 0.42460 0.31550 0.42050 1.00000 O4 0.55810 0.58130 0.20580 1.00000 O5 0.09220 0.31630 0.20600 1.00000 O6 0.08390 0.64420 0.08540 1.00000 O7 0.55380 0.61800 0.11510 1.00000 O8 0.27220 0.05300 0.40590 1.00000 O9 0.05650 0.27380 0.11510 1.00000 O10 0.27790 0.22410 0.21570 1.00000 O11 0.60700 0.55060 0.40660 1.00000 O12 -0.06780 0.38450 0.07450 1.00000 O13 0.62920 0.06870 0.35020 1.00000 O14 0.55610 0.48900 0.29230 1.00000 O15 0.33070 0.40180 0.03190 1.00000 O16 0.43570 0.50480 0.37470 1.00000 O17 0.13300 0.43080 0.00560 1.00000 O18 0.34040 0.21620 0.32810 1.00000 O19 0.14350 0.49930 0.16510 1.00000 O20 0.50520 0.35890 0.50160 1.00000 O21 0.47970 0.17130 0.49820 1.00000 O22 0.19110 0.32260 0.30430 1.00000 N1 0.23810 0.63000 0.23320 1.00000 N2 0.57300 0.29310 0.23000 1.00000 N3 0.37750 0.61450 0.03100 0.62000 N4 0.35700 0.59600 0.29840 0.38000 N5 0.05840 0.09730 0.22900 1.00000 N6 0.07000 0.09600 0.29750 1.00000 N7 -0.02000 0.07000 0.03870 0.41000 N8 0.57300 0.31300 0.30440 0.38000 N9 0.61400 0.24800 0.37670 0.21000 C1 0.00000 0.00000 0.43410 1.00000 C2 0.00000 0.00000 0.10150 1.00000 C3 0.00000 0.00000 0.36740 1.00000 C4 0.00000 0.00000 0.22950 1.00000 C5 0.00000 0.00000 0.29830 1.00000 C6 0.00000 0.00000 0.03460 1.00000 H1 0.39000 0.11000 0.19400 1.00000 H2 0.41000 0.29000 0.07000 1.00000 H3 0.40800 0.29100 0.40300 1.00000 H4 0.06000 0.46000 0.19100 1.00000 H5 0.26000 0.39000 0.47600 1.00000 H6 0.34000 0.42000 0.07100 1.00000 H7 0.03000 0.48000 0.11700 1.00000 H8 0.41000 0.45000 0.27500 1.00000 H9 0.47000 0.45000 0.21700 1.00000 H10 0.30000 0.18000 0.21800 1.00000 H11 0.31000 0.10000 0.06300 1.00000 H12 -0.02000 0.43000 0.05900 1.00000 H13 0.45000 0.68000 0.09800 1.00000 H14 0.57000 0.36000 0.76100 1.00000 H15 0.00000 0.13000 0.10300 1.00000 H16 0.13000 0.10000 0.10200 1.00000 H17 0.12700 0.12000 0.23200 1.00000 H18 0.02000 0.13000 0.23700 1.00000 H19 0.12000 0.48000 0.15100 1.00000 H20 0.15000 0.01000 0.49500 1.00000 H21 0.13900 0.49700 0.48400 1.00000 H22 0.18000 0.49500 0.50000 1.00000 H23 0.01000 0.21000 0.15000 1.00000 H24 0.54000 0.17000 0.49900 1.00000 H25 0.69000 0.87000 0.36300 1.00000 H26 0.63000 0.88000 0.31200 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 Te1 0.01750 0.01680 0.02010 0.00880 0.00100 -0.00020 Te2 0.01460 0.01590 0.02400 0.00770 0.00000 0.00100 P1 0.01960 0.02170 0.02300 0.01080 -0.00270 -0.00210 P2 0.01870 0.02320 0.02900 0.01000 -0.00150 -0.00460 O1 0.01600 0.01100 0.02700 0.00400 -0.00900 -0.00200 O2 0.04000 0.02300 0.02900 0.02200 -0.00100 0.00300 O3 0.02900 0.03700 0.04200 0.01500 0.01800 -0.01100 O4 0.03600 0.02800 0.03400 0.01400 -0.00500 0.00300 O5 0.02800 0.03800 0.03500 0.02300 0.00200 -0.00300 O6 0.04100 0.05000 0.04100 0.03500 0.00200 0.00400 O7 0.02100 0.02900 0.03100 0.01300 0.01000 0.00900 O8 0.05400 0.02900 0.03300 0.02300 -0.00600 0.00500 O9 0.02100 0.02300 0.04000 0.00800 -0.00700 -0.00100 O10 0.03600 0.02600 0.05100 0.02000 -0.02800 -0.02200 O11 0.03100 0.01500 0.04900 0.01400 -0.01500 -0.01100 O12 0.01500 0.03600 0.04700 0.01100 -0.01100 0.00500 O13 0.01900 0.02600 0.06600 0.00900 0.00000 -0.00300 O14 0.03500 0.01300 0.02400 0.00700 -0.00800 -0.00300 O15 0.03000 0.01900 0.03900 0.00300 -0.00400 -0.00800 O16 0.07100 0.04800 0.04300 0.03700 0.03400 0.00800 O17 0.06500 0.04200 0.07600 0.03400 -0.01500 -0.02300 O18 0.04200 0.02700 0.02900 0.02200 0.00400 -0.00100 O19 0.04100 0.05900 0.02000 0.03300 0.00000 -0.00400 O20 0.03900 0.02800 0.04700 0.01300 -0.00400 0.00300 O21 0.05100 0.04200 0.03600 0.01600 0.00300 0.01400 O22 0.04200 0.05800 0.05000 0.02600 0.00200 -0.01200 N1 0.02400 0.05000 0.11000 0.01800 0.00500 -0.00100 N2 0.03300 0.03800 0.06500 0.02100 -0.00400 -0.00100 N5 0.03800 0.00800 0.10300 0.00500 -0.00600 -0.00100 N6 0.11000 0.06400 0.05900 -0.03100 0.00700 -0.00500 C1 0.02300 0.02300 0.07000 0.01150 0.00000 0.00000 C2 0.03400 0.03400 0.06000 0.01700 0.00000 0.00000 C3 0.03100 0.03100 0.05000 0.01550 0.00000 0.00000 C4 0.01000 0.01000 0.02500 0.00500 0.00000 0.00000 C5 0.01500 0.01500 0.11000 0.00750 0.00000 0.00000 C6 0.03800 0.03800 0.01600 0.01900 0.00000 0.00000