data_global _chemical_name_mineral 'Faustite' loop_ _publ_author_name 'Kolitsch U' 'Giester G' _journal_name_full 'Mineralogical Magazine' _journal_volume 64 _journal_year 2000 _journal_page_first 905 _journal_page_last 913 _publ_section_title ; The crystal structure of faustite and its copper analogue turquoise ; _database_code_amcsd 0014544 _chemical_compound_source 'Iron Monarch iron ore deposit, South Australia' _chemical_formula_sum 'Zn.927 Al6 P4 O28 H16' _cell_length_a 7.419 _cell_length_b 7.629 _cell_length_c 9.905 _cell_angle_alpha 69.17 _cell_angle_beta 69.88 _cell_angle_gamma 64.98 _cell_volume 462.236 _exptl_crystal_density_diffrn 2.912 _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 _atom_site_occupancy _atom_site_U_iso_or_equiv Zn 0.00000 0.00000 0.00000 0.92700 0.03010 Al1 0.28350 0.18040 0.74960 1.00000 0.01270 Al2 0.74780 0.18610 0.27319 1.00000 0.01230 Al3 0.24310 0.50220 0.24472 1.00000 0.00830 P1 0.35248 0.38778 0.94179 1.00000 0.01210 P2 0.84463 0.38499 0.45620 1.00000 0.01190 O1 0.06970 0.36060 0.38410 1.00000 0.01470 O2 0.80670 0.34330 0.62450 1.00000 0.01420 O3 0.27990 0.35450 0.11130 1.00000 0.01510 O4 0.06670 0.06110 0.18970 1.00000 0.02080 O5 0.23790 0.07220 0.62810 1.00000 0.01450 O6 0.73250 0.07940 0.12660 1.00000 0.01400 O7 0.29570 0.40560 0.60520 1.00000 0.01480 O8 0.32610 0.22690 0.90220 1.00000 0.01490 O9 0.98820 0.28800 0.83900 1.00000 0.01460 O10 0.57580 0.05130 0.68300 1.00000 0.01670 O11 0.78230 0.40590 0.13130 1.00000 0.01520 O12 0.46320 0.29490 0.32690 1.00000 0.01460 O13 0.79240 0.22740 0.42830 1.00000 0.01280 O14 0.57860 0.36660 0.89640 1.00000 0.01450 H1 0.13300 -0.05500 0.23800 1.00000 0.08000 H2 0.14800 0.11100 0.18400 1.00000 0.13000 H3 0.65300 0.11100 0.60800 1.00000 0.05000 H4 0.60700 -0.06700 0.68900 1.00000 0.06000 H5 0.18500 0.12800 0.58000 1.00000 0.02000 H6 0.67100 0.13500 0.09100 1.00000 0.01000 H7 0.98400 0.33900 0.89500 1.00000 0.01700 H8 0.44400 0.31500 0.39000 1.00000 0.02000 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 Zn 0.02710 0.02170 0.02630 -0.00690 0.01280 -0.00870 Al1 0.01450 0.01070 0.01340 -0.00430 -0.00380 -0.00310 Al2 0.01510 0.01080 0.01160 -0.00440 -0.00390 -0.00240 Al3 0.00790 0.00720 0.00970 -0.00160 -0.00200 -0.00310 P1 0.01300 0.01170 0.01250 -0.00400 -0.00320 -0.00400 P2 0.01270 0.01120 0.01240 -0.00370 -0.00370 -0.00340 O1 0.01430 0.01260 0.01530 -0.00390 -0.00320 -0.00240 O2 0.01790 0.01320 0.01270 -0.00610 -0.00350 -0.00360 O3 0.01820 0.01460 0.01380 -0.00790 -0.00080 -0.00500 O4 0.02000 0.02000 0.02200 -0.00530 -0.00660 -0.00440 O5 0.01800 0.01220 0.01400 -0.00310 -0.00820 -0.00300 O6 0.01500 0.01300 0.01400 -0.00320 -0.00560 -0.00230 O7 0.01610 0.01000 0.01820 -0.00420 -0.00410 -0.00370 O8 0.01930 0.01310 0.01590 -0.00710 -0.00760 -0.00210 O9 0.01700 0.01520 0.01400 -0.00470 -0.00250 -0.00840 O10 0.01800 0.01300 0.01800 -0.00740 -0.00230 -0.00160 O11 0.01430 0.01230 0.01710 -0.00330 -0.00510 -0.00160 O12 0.01500 0.01500 0.01300 -0.00340 -0.00240 -0.00620 O13 0.01780 0.01240 0.00950 -0.00670 -0.00320 -0.00210 O14 0.01120 0.01490 0.01740 -0.00430 -0.00360 -0.00390