data_global _chemical_name_mineral 'Metavivianite' loop_ _publ_author_name 'Dormann J' 'Gasperin M' 'Poullen J F' _journal_name_full 'Bulletin de Mineralogie' _journal_volume 105 _journal_year 1982 _journal_page_first 147 _journal_page_last 160 _publ_section_title ; Etude structurale de la sequence d'oxydation de la vivianite Fe3(PO4)2*8(H2O) ; _database_code_amcsd 0012078 _chemical_formula_sum 'Fe3 P2 O16 H16' _cell_length_a 7.84 _cell_length_b 9.11 _cell_length_c 4.67 _cell_angle_alpha 95.04 _cell_angle_beta 96.94 _cell_angle_gamma 107.72 _cell_volume 312.639 _exptl_crystal_density_diffrn 2.664 _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 Fe1 0.00000 0.00000 0.00000 0.00507 Fe2 0.37080 0.59210 0.49080 0.00760 P 0.69060 0.67170 0.04560 0.00760 O1 0.24490 0.44490 0.12570 0.01646 O2 0.45210 0.28310 0.14390 0.01140 O3 0.84900 0.81920 0.16510 0.01646 Wat4 0.91690 0.13560 0.26580 0.02406 Wat5 0.37360 0.78910 0.29520 0.02280 Wat6 0.20940 0.00390 0.29920 0.01393 O7 0.61350 0.60500 0.30980 0.00380 Wat8 0.85250 0.40760 0.33370 0.02406 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 Fe1 0.00827 0.00712 0.00000 0.00257 0.00498 0.00360 Fe2 0.00827 0.01312 0.00086 0.00579 0.00945 0.00441 P 0.01351 0.00975 0.00000 -0.00514 0.00120 0.00120