data_global _chemical_name_mineral 'Turquoise' 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 0014545 _chemical_compound_source 'Iron Monarch iron ore deposit, South Australia' _chemical_formula_sum 'Cu.452 Al3 P2 O14 H8' _cell_length_a 7.410 _cell_length_b 7.633 _cell_length_c 9.904 _cell_angle_alpha 68.42 _cell_angle_beta 69.65 _cell_angle_gamma 65.05 _cell_volume 459.808 _exptl_crystal_density_diffrn 2.916 _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 Cu 0.00000 0.00000 0.00000 0.87400 0.00875 Al1 0.28321 0.17672 0.75262 1.00000 0.00739 Al2 0.75315 0.18560 0.27287 1.00000 0.00683 Al3 0.24489 0.50221 0.24459 1.00000 0.00571 P1 0.35046 0.38634 0.94324 1.00000 0.00608 P2 0.84272 0.38707 0.45631 1.00000 0.00540 O1 0.06800 0.36290 0.38468 1.00000 0.00890 O2 0.80450 0.34485 0.62581 1.00000 0.00780 O3 0.27670 0.35580 0.11311 1.00000 0.00840 O4 0.06320 0.06610 0.19825 1.00000 0.01300 O5 0.23770 0.07320 0.62792 1.00000 0.00810 O6 0.73550 0.08280 0.12361 1.00000 0.00750 O7 0.29620 0.40354 0.60706 1.00000 0.00890 O8 0.32530 0.22300 0.90554 1.00000 0.01010 O9 0.98630 0.28070 0.84408 1.00000 0.00880 O10 0.57410 0.04940 0.68631 1.00000 0.01130 O11 0.78480 0.40900 0.13125 1.00000 0.00930 O12 0.46490 0.29400 0.32633 1.00000 0.00800 O13 0.78830 0.22916 0.43134 1.00000 0.00800 O14 0.57710 0.36620 0.89794 1.00000 0.00820 H1 0.12800 -0.02800 0.22400 1.00000 0.03200 H2 0.11600 0.13200 0.17600 1.00000 0.04000 H3 0.62800 0.11700 0.60900 1.00000 0.04000 H4 0.60800 -0.05700 0.67900 1.00000 0.03500 H5 0.20400 0.12900 0.57300 1.00000 0.02300 H6 0.69100 0.14300 0.07400 1.00000 0.01800 H7 0.98700 0.31800 0.88900 1.00000 0.02900 H8 0.44800 0.28700 0.39700 1.00000 0.02100 Cu 0.50000 0.00000 0.50000 0.03000 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 Cu 0.00740 0.00798 0.00660 -0.00159 0.00203 -0.00188 Al1 0.01020 0.00590 0.00730 -0.00360 -0.00300 -0.00110 Al2 0.00810 0.00610 0.00710 -0.00290 -0.00240 -0.00160 Al3 0.00610 0.00590 0.00530 -0.00230 -0.00060 -0.00200 P1 0.00660 0.00660 0.00580 -0.00288 -0.00136 -0.00183 P2 0.00590 0.00570 0.00530 -0.00262 -0.00111 -0.00167 O1 0.00710 0.01030 0.00860 -0.00370 -0.00020 -0.00220 O2 0.00940 0.00840 0.00570 -0.00290 -0.00080 -0.00330 O3 0.01130 0.00950 0.00500 -0.00470 -0.00020 -0.00300 O4 0.01300 0.01200 0.01460 -0.00600 -0.00570 0.00030 O5 0.01190 0.00680 0.00690 -0.00330 -0.00540 0.00000 O6 0.00870 0.00690 0.00690 -0.00200 -0.00410 -0.00050 O7 0.00940 0.00640 0.00890 -0.00190 -0.00220 -0.00090 O8 0.01420 0.00830 0.01090 -0.00440 -0.00540 -0.00270 O9 0.00850 0.01040 0.00920 -0.00350 -0.00010 -0.00590 O10 0.00960 0.00920 0.01290 -0.00390 -0.00060 -0.00170 O11 0.00910 0.00750 0.00990 -0.00240 -0.00240 -0.00080 O12 0.00780 0.00920 0.00560 -0.00130 -0.00140 -0.00250 O13 0.01230 0.00780 0.00790 -0.00510 -0.00380 -0.00250 O14 0.00650 0.00910 0.00780 -0.00300 -0.00160 -0.00050