data_global _chemical_name_mineral 'Geminite' loop_ _publ_author_name 'Prencipe M' 'Pushcharovsky D Y' 'Sarp H' 'Ferraris G' _journal_name_full 'Moscow University Geology Bulletin' _journal_volume 51 _journal_year 1996 _journal_page_first 51 _journal_page_last 58 _publ_section_title ; Comparative crystal chemistry of geminite Cu[AsO3OH]H2O and related minerals ; _database_code_amcsd 0014670 _chemical_compound_source 'Salsigne mine, Carrassonne, Aude, France' _chemical_formula_sum 'As Cu O5 H3' _cell_length_a 6.433 _cell_length_b 8.093 _cell_length_c 15.764 _cell_angle_alpha 86.65 _cell_angle_beta 84.35 _cell_angle_gamma 84.47 _cell_volume 811.928 _exptl_crystal_density_diffrn 3.624 _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_U_iso_or_equiv Asl 0.40950 0.44010 0.39740 0.01100 As2 0.36170 0.36110 0.08850 0.01100 As3 0.10970 0.14950 0.59230 0.01100 As4 0.14530 0.02940 0.89570 0.00900 Cul 0.13570 0.63790 0.95890 0.01300 Cu2 0.38760 0.85370 0.45330 0.01400 Cu3 -0.11340 0.40600 0.43980 0.01400 Cu4 0.64250 0.08880 -0.06560 0.01100 O1 0.47530 0.62150 0.35490 0.02000 O2 0.59360 -0.65600 0.45520 0.01400 O3 0.17480 0.44630 0.45530 0.01800 O4 0.39880 0.47820 0.16810 0.01600 O5 0.57830 0.32550 0.02180 0.01200 O6 0.15650 0.42920 0.03230 0.01400 O7 -0.08580 0.18250 0.53110 0.01300 O8 0.33330 0.08710 0.53590 0.01900 O9 0.05160 0.01860 0.67670 0.01800 O10 0.10230 -0.16890 0.87700 0.01100 O11 -0.07210 0.13990 0.93830 0.01400 O12 0.34470 0.04580 0.95430 0.00800 O-H1 0.40210 0.31260 0.31400 0.01800 O-H2 0.29280 0.17640 0.13770 0.01600 O-H3 0.85070 -0.33490 0.36300 0.01300 O-H4 0.22180 0.12450 0.79980 0.01900 Wat1 0.18060 0.49450 0.81690 0.02700 Wat2 0.37080 0.97950 0.33880 0.01600 Wat3 -0.06300 0.31490 0.32470 0.02000 Wat4 0.64110 0.19490 -0.17880 0.01600 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 Asl 0.01100 0.01000 0.01100 0.00000 -0.00100 -0.00200 As2 0.01100 0.01100 0.01000 0.00000 -0.00100 -0.00100 As3 0.01100 0.01200 0.01000 0.00000 -0.00200 -0.00200 As4 0.01000 0.00800 0.01000 0.00000 -0.00100 -0.00200 Cul 0.01200 0.01100 0.01600 -0.00100 -0.00200 0.00100 Cu2 0.01300 0.01400 0.01500 -0.00200 -0.00200 0.00000 Cu3 0.01400 0.01300 0.01400 -0.00100 -0.00100 -0.00300 Cu4 0.01100 0.01100 0.01200 -0.00100 -0.00200 -0.00100 O1 0.02100 0.01600 0.02300 -0.00400 -0.00100 0.00300 O2 0.01900 0.01300 0.01200 -0.00100 -0.00500 0.00000 O3 0.01800 0.01300 0.02100 0.00100 -0.00400 -0.00500 O4 0.01900 0.01700 0.01400 0.00300 -0.00600 -0.00500 O5 0.01200 0.01200 0.01300 -0.00500 0.00400 0.00000 O6 0.01300 0.01800 0.01000 0.00100 -0.00100 0.00000 O7 0.01700 0.01300 0.01000 -0.00100 -0.00400 -0.00200 O8 0.01600 0.01500 0.02500 0.00300 -0.00600 -0.00500 O9 0.01600 0.01100 0.02700 -0.00400 -0.00100 -0.00100 O10 0.01000 0.00800 0.01400 -0.00200 0.00200 -0.00200 O11 0.01300 0.01400 0.01400 0.00100 0.00300 -0.00500 O12 0.01100 0.00300 0.01000 0.00300 -0.00100 0.00000 O-H1 0.02300 0.02100 0.01200 0.00100 -0.00300 -0.00800 O-H2 0.02200 0.00400 0.02100 0.00100 -0.00300 -0.00100 O-H3 0.01500 0.00600 0.01900 0.00100 -0.00100 -0.00400 O-H4 0.01900 0.01900 0.01800 -0.00600 0.00100 0.00000 Wat1 0.02900 0.02700 0.02500 0.00100 0.00100 -0.00200 Wat2 0.02000 0.01400 0.01300 -0.00100 0.00200 -0.00200 Wat3 0.02600 0.02200 0.01300 0.00000 -0.00200 -0.00600 Wat4 0.01700 0.01500 0.01800 -0.00500 0.00100 -0.00400