data_global _amcsd_formula_title 'H8 Li Na2 O13 P3' loop_ _publ_author_name 'Averbuch-Pouchot M' 'Durif A' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 30 _journal_year 1993 _journal_page_first 1075 _journal_page_last 1082 _publ_section_title ; Disodium-lithium cyclotriphosphate tetrahydrate: Na2LiP3O9*4H2O _cod_database_code 1007222 ; _database_code_amcsd 0015904 _chemical_formula_sum 'Na2 Li P3 O13 H8' _cell_length_a 6.905 _cell_length_b 9.346 _cell_length_c 9.876 _cell_angle_alpha 95.00 _cell_angle_beta 104.36 _cell_angle_gamma 107.75 _cell_volume 578.812 _exptl_crystal_density_diffrn 2.076 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na1 0.43116 0.05255 0.15048 Na2 0.81037 0.34023 0.03506 Li1 0.36480 0.25320 0.38880 P1 0.73388 0.70413 0.03623 P2 0.82272 0.77997 0.33971 P3 0.92333 0.01914 0.17935 O1 0.69690 0.67330 0.18734 O2 0.91930 0.86919 0.08422 O3 0.17350 0.40455 0.01644 O4 0.46260 0.28230 0.05392 O5 0.83840 0.94603 0.30497 O6 0.67310 0.74240 0.42686 O7 0.03520 0.76550 0.38640 O8 0.14920 0.11554 0.23549 O9 0.76320 0.08082 0.10139 O10 0.63340 0.22560 0.37860 O11 0.32240 0.80570 0.21800 O12 0.37140 0.44730 0.32593 O13 0.94600 0.43760 0.29230 H1 0.72200 0.20500 0.44900 H2 0.71200 0.30100 0.34700 H3 0.40600 0.79000 0.27800 H4 0.22500 0.79300 0.25500 H5 0.47000 0.52800 0.35500 H6 0.35600 0.44100 0.23900 H7 0.06300 0.43000 0.31800 H8 0.98000 0.53600 0.32200 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 Na1 0.02220 0.02280 0.02170 0.00860 0.00830 0.00440 Na2 0.01970 0.02170 0.03100 0.00660 0.01030 0.00630 Li1 0.01790 0.02270 0.01610 0.00350 0.00480 -0.00050 P1 0.01172 0.01138 0.01165 0.00322 0.00408 0.00060 P2 0.01418 0.01583 0.01153 0.00465 0.00476 0.00388 P3 0.01076 0.01075 0.01234 0.00269 0.00363 0.00144 O1 0.02390 0.01510 0.01300 -0.00060 0.00700 0.00170 O2 0.01260 0.01200 0.01500 0.00280 0.00590 0.00040 O3 0.02550 0.01500 0.03130 0.00760 0.01600 0.00060 O4 0.01420 0.02460 0.02250 0.00260 0.00000 0.00740 O5 0.02500 0.01440 0.01710 0.00600 0.01200 0.00290 O6 0.02490 0.02250 0.01600 0.00290 0.01150 0.00380 O7 0.02050 0.03820 0.02500 0.01530 0.00350 0.00950 O8 0.01380 0.01840 0.01840 -0.00110 0.00310 -0.00150 O9 0.01850 0.01920 0.02190 0.01040 0.00600 0.00590 O10 0.01880 0.04050 0.02270 0.01120 0.00450 0.00810 O11 0.02190 0.03950 0.03720 0.01660 0.01260 0.01700 O12 0.03550 0.01980 0.01940 -0.00100 0.00680 0.00150 O13 0.03090 0.02900 0.04560 0.01250 0.00820 0.00590