data_global _chemical_name_mineral 'Mapimite' loop_ _publ_author_name 'Ginderow D' 'Cesbron F' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 37 _journal_year 1981 _journal_page_first 1040 _journal_page_last 1043 _publ_section_title ; Structure de la mapimite, Zn2Fe3(AsO4)3(OH)4*10H2O Note: anisoB's from ICSD ; _database_code_amcsd 0009743 _chemical_compound_source 'Ojuela, Mapimi, Durango, Mexico' _chemical_formula_sum 'Zn2 Fe3 As3 O26 H24' _cell_length_a 11.415 _cell_length_b 11.259 _cell_length_c 8.661 _cell_angle_alpha 90 _cell_angle_beta 107.74 _cell_angle_gamma 90 _cell_volume 1060.194 _exptl_crystal_density_diffrn 3.017 _symmetry_space_group_name_H-M 'C 1 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' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Zn1 0.29700 0.00000 0.62270 0.00887 Zn2 0.75280 0.00000 0.67550 0.01267 Fe1 0.01710 0.00000 0.63340 0.00507 Fe2 0.08390 0.14170 0.35080 0.00507 As1 0.00000 0.00000 0.00000 0.00760 As2 0.86160 0.24330 0.48640 0.00633 O1 0.84920 0.00000 0.90650 0.01267 O2 0.08100 0.00000 0.86670 0.01267 O3 0.03780 0.12460 0.11450 0.01267 O4 0.71240 0.24050 0.37290 0.00887 O5 0.94820 0.24490 0.35840 0.01646 O6 0.88320 0.12040 0.60360 0.01140 O7 0.90040 0.36120 0.60790 0.01140 O-H1 0.97910 0.00000 0.37710 0.00633 O-H2 0.20280 0.00000 0.37710 0.00633 O-H3 0.14070 0.11810 0.60420 0.00887 Wat11 0.34730 0.00000 0.86780 0.03673 Wat12 0.63980 0.00000 0.43920 0.02153 Wat13 0.64910 0.14180 0.72300 0.02026 Wat14 0.37710 0.00000 0.22540 0.04939 Wat15 0.74300 0.00000 0.16340 0.04939 Wat16 0.25590 0.24130 0.01510 0.17985 Wat17 0.03910 0.35450 0.02340 0.20771 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 Zn1 0.00898 0.01092 0.00448 0.00000 0.00045 0.00000 Zn2 0.00958 0.02183 0.00517 0.00000 -0.00045 0.00000 Fe1 0.00599 0.00835 0.00069 0.00000 0.00091 0.00000 Fe2 0.00599 0.00706 0.00103 -0.00062 0.00045 -0.00047 As1 0.00898 0.01092 0.00034 0.00000 -0.00045 0.00000 As2 0.00539 0.00706 0.00345 -0.00186 0.00091 -0.00094 O1 0.00898 0.02569 0.00379 0.00000 -0.00227 0.00000 O2 0.01258 0.02569 0.00034 0.00000 0.00045 0.00000 O3 0.02216 0.01156 0.00034 -0.00248 0.00091 -0.00141 O4 0.00778 0.01092 0.00827 0.00310 -0.00227 -0.00282 O5 0.01377 0.01798 0.00931 -0.00682 0.00818 -0.00565 O6 0.01018 0.01028 0.00862 0.00248 0.00500 0.00518 O7 0.01018 0.01092 0.01138 -0.00186 -0.00045 0.00471 O-H1 0.00359 0.01092 0.00448 0.00000 -0.00091 0.00000 O-H2 0.00719 0.00771 0.00276 0.00000 0.00227 0.00000 O-H3 0.01198 0.01028 0.00276 -0.00558 0.00227 -0.00235 Wat11 0.04132 0.06165 0.00517 0.00000 -0.00136 0.00000 Wat12 0.01796 0.03339 0.01241 0.00000 -0.00182 0.00000 Wat13 0.01557 0.02633 0.01172 0.00558 0.00409 0.00376 Wat14 0.02156 0.08541 0.02517 0.00000 0.01409 0.00000 Wat15 0.02036 0.08670 0.03275 0.00000 0.00500 0.00000 Wat16 0.25989 0.24018 0.03378 -0.16000 -0.03771 0.06258 Wat17 0.18504 0.17018 0.22649 0.02108 -0.00318 -0.05929