data_global _chemical_name_mineral 'Hopeite' loop_ _publ_author_name 'Haussuhl S' 'Middendorf B' 'Dorffel M' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 93 _journal_year 1991 _journal_page_first 9 _journal_page_last 16 _publ_section_title ; Structure and properties of hopeites (MgxZn1-x)3(PO4)2*4H2O ; _database_code_amcsd 0013717 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mg.62 Zn2.38 P2 O12 H8' _cell_length_a 10.594 _cell_length_b 18.333 _cell_length_c 5.029 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 976.731 _exptl_crystal_density_diffrn 2.943 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+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 MgM 0.26247 0.25000 0.07290 0.62000 0.01860 ZnM 0.26247 0.25000 0.07290 0.38000 0.01860 Zn 0.14241 0.49897 0.20834 1.00000 0.01240 P 0.39693 0.40469 0.22700 1.00000 0.01110 O4 0.35910 0.32730 0.28200 1.00000 0.01960 O5 0.09970 0.57920 0.43050 1.00000 0.02680 O6 0.02530 0.42180 0.14150 1.00000 0.02030 O7 0.30090 0.45970 0.36190 1.00000 0.01560 Wat1 0.10650 0.75000 0.25810 1.00000 0.02230 Wat2 0.11450 0.25000 0.34500 1.00000 0.02730 Wat3 0.33610 0.67000 0.33940 1.00000 0.02570 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 MgM 0.01740 0.02140 0.01700 0.00000 -0.00060 0.00000 ZnM 0.01740 0.02140 0.01700 0.00000 -0.00060 0.00000 Zn 0.01240 0.01330 0.01150 -0.00030 0.00020 -0.00080 P 0.01410 0.00880 0.01030 0.00070 -0.00060 0.00050 O4 0.03000 0.01140 0.01730 -0.00620 -0.00930 0.00210 O5 0.05100 0.01670 0.01260 0.01100 -0.00400 -0.00390 O6 0.01240 0.01560 0.03300 -0.00250 0.00380 -0.00460 O7 0.01330 0.02070 0.01290 0.00490 -0.00250 -0.00380 Wat1 0.01900 0.03000 0.01800 0.00000 -0.00400 0.00000 Wat2 0.01700 0.04300 0.02200 0.00000 0.00500 0.00000 Wat3 0.02700 0.02100 0.02900 0.00750 0.00600 0.00100