data_global _chemical_name_mineral 'Julienite' loop_ _publ_author_name 'Mereiter K' 'Preisinger A' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 38 _journal_year 1982 _journal_page_first 1084 _journal_page_last 1088 _publ_section_title ; The structure of sodium tetraisothiocyanatocobaltate(II) octahydrate Na2[Co(NCS)4]*8H2O ; _database_code_amcsd 0009760 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Na2 Co S4 C4 N4 (O8 H16)' _cell_length_a 18.941 _cell_length_b 19.209 _cell_length_c 5.460 _cell_angle_alpha 90 _cell_angle_beta 91.64 _cell_angle_gamma 90 _cell_volume 1985.740 _exptl_crystal_density_diffrn 1.610 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na1 0.55750 0.49860 0.25790 ? Na2 0.49470 0.05530 0.24590 ? Co 0.24730 0.25320 0.48410 ? S1 0.42250 0.27170 -0.11310 ? S2 0.23450 0.44120 0.03640 ? S3 0.05940 0.22870 -0.09600 ? S4 0.26540 0.08120 0.10010 ? C1 0.36710 0.26700 0.10650 0.04306 C2 0.23440 0.38000 0.83660 0.04306 C3 0.12080 0.23820 0.11500 0.03926 C4 0.25980 0.13470 0.86680 0.04433 N1 0.32780 0.26230 0.26570 0.04053 N2 0.23580 0.33610 0.69140 0.04939 N3 0.16310 0.24290 0.26830 0.04686 N4 0.25650 0.17470 0.71260 0.04306 Wat1 0.54090 0.42960 0.61640 0.04306 Wat2 0.54420 0.57040 -0.10480 0.04559 Wat3 0.63420 0.57270 0.49490 0.07726 Wat4 0.62740 0.41920 0.04040 0.07346 Wat5 0.43530 -0.05130 0.38720 0.04686 Wat6 0.42060 0.03470 -0.11920 0.04559 Wat7 0.41350 0.12500 0.46340 0.05699 Wat8 0.54950 0.14420 0.00880 0.06459 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 0.05800 0.04790 0.04020 -0.00210 0.00260 -0.00100 Na2 0.06030 0.05060 0.03730 0.00320 -0.00030 0.00190 Co 0.04510 0.03970 0.03490 0.00030 0.00270 -0.00060 S1 0.05770 0.05440 0.04290 -0.00910 0.01020 -0.00240 S2 0.05950 0.08490 0.09710 -0.00730 0.01180 -0.05210 S3 0.07240 0.05510 0.05030 -0.00830 -0.01490 0.01360 S4 0.06850 0.06050 0.04800 0.00680 0.00500 0.02190