data_global _chemical_name_mineral 'Gaitite' loop_ _publ_author_name 'Keller P' 'Lissner F' 'Schleid T' _journal_name_full 'European Journal of Mineralogy' _journal_volume 16 _journal_year 2004 _journal_page_first 353 _journal_page_last 359 _publ_section_title ; The crystal structures of zincroselite and gaitite: Two natural polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia Note: c cell edge corrected by authors ; _database_code_amcsd 0007063 _chemical_compound_source 'Tsumeb, Namibia' _chemical_formula_sum 'Ca2 (Zn.58 Mg.42) As2 O10 H4' _cell_length_a 5.899 _cell_length_b 6.978 _cell_length_c 5.575 _cell_angle_alpha 97.41 _cell_angle_beta 109.08 _cell_angle_gamma 108.09 _cell_volume 199.258 _exptl_crystal_density_diffrn 3.685 _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 CaA 0.29405 0.76227 0.65237 1.00000 0.00980 ZnM 0.00000 0.00000 0.00000 0.58000 0.00890 MgM 0.00000 0.00000 0.00000 0.42000 0.00890 AsX 0.33451 0.24613 0.67138 1.00000 0.00720 O1 0.34290 0.12980 0.92180 1.00000 0.01120 O2 0.24010 0.05040 0.40100 1.00000 0.01300 O3 0.15520 0.39160 0.64200 1.00000 0.01110 O4 0.64170 0.38510 0.71590 1.00000 0.01140 O5 0.95410 0.27370 0.07360 1.00000 0.01110 H1 0.08800 0.36000 0.13300 1.00000 0.02200 H2 0.88300 0.29400 0.96700 1.00000 0.03690 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 CaA 0.01010 0.01090 0.00860 0.00410 0.00390 0.00210 ZnM 0.00930 0.00890 0.00930 0.00440 0.00380 0.00190 MgM 0.00930 0.00890 0.00930 0.00440 0.00380 0.00190 AsX 0.00740 0.00770 0.00700 0.00320 0.00270 0.00220 O1 0.01060 0.01410 0.01100 0.00550 0.00470 0.00650 O2 0.01460 0.01380 0.00860 0.00670 0.00190 -0.00010 O3 0.01160 0.01210 0.01230 0.00710 0.00490 0.00440 O4 0.00820 0.01190 0.01270 0.00210 0.00420 0.00300 O5 0.01010 0.01020 0.01090 0.00320 0.00220 0.00290