data_global _chemical_name_mineral 'Kipushite' loop_ _publ_author_name 'Piret P' 'Deliens M' 'Piret-Meunier J' _journal_name_full 'The Canadian Mineralogist' _journal_volume 23 _journal_year 1985 _journal_page_first 35 _journal_page_last 42 _publ_section_title ; Occurrence and crystal structure of kipushite, a new copper-zinc phosphate from Kipushi, Zaire ; _database_code_amcsd 0005202 _chemical_compound_source 'Kipushi, Zaire' _chemical_formula_sum 'Cu2.92 Zn2.08 P2 (O15 H7)' _cell_length_a 12.197 _cell_length_b 9.156 _cell_length_c 10.667 _cell_angle_alpha 90 _cell_angle_beta 96.77 _cell_angle_gamma 90 _cell_volume 1182.939 _exptl_crystal_density_diffrn 3.541 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-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_occupancy Cu1 0.33070 0.41400 0.19450 0.64000 Cu2 0.27450 0.26600 0.46130 0.36000 Cu3 0.32800 0.58540 0.44830 0.64000 Zn3 0.32800 0.58540 0.44830 0.36000 Cu4 0.32590 0.76390 0.19370 0.64000 Zn4 0.32590 0.76390 0.19370 0.36000 Cu5 0.31180 0.93490 0.43450 0.64000 Zn5 0.31180 0.93490 0.43450 0.36000 Zn6 0.03160 0.09430 0.33550 1.00000 P7 0.04340 0.27710 0.10290 1.00000 P8 0.42870 0.08720 0.20100 1.00000 O-H9 0.24830 0.43200 0.34160 1.00000 O10 0.44620 0.57710 0.29570 1.00000 O-H11 0.25410 0.58890 0.10520 1.00000 O-H12 0.38210 0.39290 0.02660 1.00000 O13 0.15680 0.20900 0.09500 1.00000 O14 0.39370 0.22870 0.26300 1.00000 O15 0.37550 0.41460 0.56080 1.00000 O-H16 0.19270 0.11140 0.35720 1.00000 O-H17 0.25470 0.75330 0.34920 1.00000 O-H18 0.41200 0.72860 0.55150 1.00000 O-H19 0.17920 0.59530 0.58930 1.00000 O20 0.38690 -0.04450 0.27350 1.00000 O21 0.05900 0.42390 0.17070 1.00000 O22 -0.02210 0.29830 -0.02900 1.00000 O23 -0.02660 0.17640 0.17490 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 Cu1 0.01840 0.00590 0.01120 0.00380 0.00210 0.00270 Cu2 0.02000 0.00380 0.01430 -0.00080 -0.00420 0.00020 Cu3 0.01530 0.00300 0.01060 -0.00120 -0.00190 0.00030 Zn3 0.01530 0.00300 0.01060 -0.00120 -0.00190 0.00030 Cu4 0.01540 0.00580 0.00910 -0.00150 0.00260 -0.00090 Zn4 0.01540 0.00580 0.00910 -0.00150 0.00260 -0.00090 Cu5 0.01300 0.00300 0.01060 -0.00030 -0.00010 -0.00090 Zn5 0.01300 0.00300 0.01060 -0.00030 -0.00010 -0.00090 Zn6 0.01200 0.01150 0.01330 -0.00080 0.00050 0.00100 P7 0.00890 0.01040 0.01400 -0.00070 -0.00040 -0.00040 P8 0.01180 0.00560 0.00920 0.00150 -0.00050 0.00220 O-H9 0.00980 0.00010 0.01770 -0.00650 -0.00400 0.00120 O10 0.01330 0.00590 0.01670 -0.00270 0.00000 -0.00150 O-H11 0.01430 0.01130 0.00590 -0.00510 -0.00070 -0.00340 O-H12 0.01620 0.00820 0.00950 -0.00180 -0.00220 0.00570 O13 0.02260 0.02430 0.01780 0.00160 0.00970 0.00180 O14 0.02010 0.01980 0.00110 0.00450 -0.00210 0.00120 O15 0.00500 0.00210 0.01380 0.00480 -0.00340 -0.00300 O-H16 0.00840 0.02870 0.01240 0.00090 -0.00730 -0.00180 O-H17 0.01630 0.00550 0.01150 -0.00570 -0.00110 -0.00130 O-H18 0.02230 0.01780 0.00920 0.00210 -0.00040 0.00310 O-H19 0.01330 0.02720 0.02930 0.00810 -0.00920 -0.00230 O20 0.01450 0.01210 0.00970 -0.00160 0.00370 -0.00520 O21 0.02640 0.01550 0.04080 0.00150 -0.01300 -0.02400 O22 0.01650 0.01840 0.01970 -0.00610 -0.00390 0.00760 O23 0.01730 0.02750 0.01360 -0.00940 -0.00660 0.00980