data_global _chemical_name_mineral 'Piypite' loop_ _publ_author_name 'Kahlenberg V' 'Piotrowski A' 'Giester G' _journal_name_full 'Mineralogical Magazine' _journal_volume 64 _journal_year 2000 _journal_page_first 1099 _journal_page_last 1108 _publ_section_title ; Crystal structure of Na4[Cu4O2(SO4)4]*MeCl (Me: Na, Cu, vac) - the synthetic Na-analogue of piypite (caratiite) Locality; synthetic ; _database_code_amcsd 0014554 _chemical_formula_sum 'Na4.26 Cu4.37 S4 O18 Cl' _cell_length_a 18.451 _cell_length_b 18.451 _cell_length_c 4.9520 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1685.856 _exptl_crystal_density_diffrn 3.260 _symmetry_space_group_name_H-M 'P 4/n' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+y,-x,-z' '1/2-y,x,z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' '-y,1/2+x,-z' 'y,1/2-x,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Na1 0.60386 0.27820 0.01600 1.00000 0.03010 Na2 0.10444 0.27925 0.46940 1.00000 0.03060 Cu1 0.05189 0.05935 0.47175 1.00000 0.01240 Cu2 0.55123 0.05974 0.97817 1.00000 0.01290 S1 0.41831 0.34183 0.96900 1.00000 0.01340 O2 0.39270 0.40080 0.14950 1.00000 0.02090 O4 0.40080 0.36210 0.68230 1.00000 0.01860 O7 0.16610 0.49670 0.99760 1.00000 0.02650 O9 0.22530 0.37990 0.02610 1.00000 0.02840 S2 0.91906 0.34094 0.48960 1.00000 0.01340 O3 0.60150 0.39110 0.33150 1.00000 0.02160 O5 0.90400 0.36150 0.20150 1.00000 0.02330 O6 0.66510 0.49720 0.46980 1.00000 0.02380 O8 0.72730 0.38190 0.46170 1.00000 0.02630 O1 0.49960 0.50880 0.25010 1.00000 0.01310 NaMe1 0.75000 0.25000 0.50000 0.26000 0.03280 CuMe1 0.75000 0.25000 0.50000 0.37000 0.03280 NaMe2 0.25000 0.25000 0.00430 0.26000 0.03250 CuMe2 0.25000 0.25000 0.00430 0.37000 0.03250 Cl1 0.75000 0.25000 0.00000 1.00000 0.03000 Cl2 0.25000 0.25000 0.50680 1.00000 0.03010 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 0.01950 0.02540 0.04530 0.00450 0.00080 0.00040 Na2 0.01970 0.02910 0.04310 0.00670 0.00020 -0.00840 Cu1 0.01480 0.01450 0.00800 -0.00280 0.00030 0.00030 Cu2 0.01510 0.01460 0.00910 -0.00280 0.00010 0.00090 S1 0.01540 0.01320 0.01170 -0.00200 -0.00200 0.00090 O2 0.02040 0.02830 0.01380 -0.00110 -0.00140 -0.00730 O4 0.02340 0.02190 0.01040 -0.00660 -0.00260 0.00090 O7 0.02470 0.01520 0.03970 -0.00390 0.00410 -0.00660 O9 0.02090 0.03330 0.03090 0.01260 -0.01060 -0.00730 S2 0.01540 0.01350 0.01140 -0.00260 0.00060 0.00020 O3 0.02880 0.01970 0.01610 -0.00080 -0.00920 0.00180 O5 0.03130 0.02710 0.01140 -0.01020 -0.00220 0.00130 O6 0.02470 0.01640 0.03030 -0.00380 0.00050 -0.00040 O8 0.01690 0.03240 0.02970 0.00780 0.00580 0.00030 O1 0.01420 0.01800 0.00730 -0.00120 -0.00060 -0.00010 NaMe1 0.04150 0.04150 0.01530 0.00000 0.00000 0.00000 CuMe1 0.04150 0.04150 0.01530 0.00000 0.00000 0.00000 NaMe2 0.04040 0.04040 0.01660 0.00000 0.00000 0.00000 CuMe2 0.04040 0.04040 0.01660 0.00000 0.00000 0.00000 Cl1 0.01730 0.01730 0.05540 0.00000 0.00000 0.00000 Cl2 0.01740 0.01740 0.05560 0.00000 0.00000 0.00000