data_global _chemical_name_mineral 'Annabergite' loop_ _publ_author_name 'Wildner M' 'Giester G' 'Lengauer C L' 'McCammon C A' _journal_name_full 'European Journal of Mineralogy' _journal_volume 8 _journal_year 1996 _journal_page_first 187 _journal_page_last 192 _publ_section_title ; Structure and crystal chemistry of vivianite-type compounds: Crystal structures of erythrite and annabergite with a Mossbauer study of erythrite ; _database_code_amcsd 0006618 _chemical_formula_sum '(Ni2.64 Mg.36) As2 O16 H16' _cell_length_a 10.179 _cell_length_b 13.309 _cell_length_c 4.725 _cell_angle_alpha 90 _cell_angle_beta 105.00 _cell_angle_gamma 90 _cell_volume 618.296 _exptl_crystal_density_diffrn 3.146 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 NiMe1 0.00000 0.00000 0.00000 0.99000 ? MgMe1 0.00000 0.00000 0.00000 0.01000 ? NiMe2 0.00000 0.38583 0.00000 0.82500 ? MgMe2 0.00000 0.38583 0.00000 0.17500 ? As 0.31620 0.00000 0.37558 1.00000 ? O1 0.14910 0.00000 0.38070 1.00000 ? O2 0.40720 0.00000 0.72870 1.00000 ? O3 0.34290 0.10760 0.21040 1.00000 ? OW1 0.09610 0.11350 0.81260 1.00000 ? OW2 0.40010 0.22530 0.71830 1.00000 ? H11 0.11800 0.08500 0.67400 1.00000 0.02290 H12 0.16400 0.12800 0.92400 1.00000 0.04140 H21 0.37200 0.20500 0.54500 1.00000 0.04660 H22 0.44600 0.27500 0.71100 1.00000 0.04570 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 NiMe1 0.01120 0.01700 0.00800 0.00000 -0.00050 0.00000 MgMe1 0.01120 0.01700 0.00800 0.00000 -0.00050 0.00000 NiMe2 0.01280 0.01240 0.01140 0.00000 0.00310 0.00000 MgMe2 0.01280 0.01240 0.01140 0.00000 0.00310 0.00000 As 0.01020 0.01220 0.00950 0.00000 0.00230 0.00000 O1 0.01020 0.01220 0.00950 0.00000 0.00230 0.00000 O2 0.01550 0.01450 0.01020 0.00000 -0.00030 0.00000 O3 0.01530 0.01350 0.01470 0.00150 0.00520 -0.00020 OW1 0.01550 0.01960 0.01530 -0.00020 0.00390 -0.00070 OW2 0.02450 0.01800 0.01730 0.00180 0.00480 0.00240