data_global _chemical_name_mineral 'Plimerite' loop_ _publ_author_name 'Elliot P' 'Kolitsch U' 'Giester G' 'Libowitzky E' 'McCammon C' 'Pring A' 'Birch W D' 'Brugger J' _journal_name_full 'Mineralogical Magazine' _journal_volume 73 _journal_year 2009 _journal_page_first 131 _journal_page_last 148 _publ_section_title ; Description and crystal structure of a new mineral - plimerite, ZnFe3+4(PO4)3(OH)5 - the Zn-analogue of rockbridgeite and frondelite, from Broken Hill, New South Wales, Australia ; _database_code_amcsd 0014590 _chemical_compound_source 'Broken Hill, New South Wales, Australia' _chemical_formula_sum 'Fe5.6 Zn1.16 Al.24 P3 O18 H6' _cell_length_a 13.865 _cell_length_b 16.798 _cell_length_c 5.151 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1199.690 _exptl_crystal_density_diffrn 4.330 _symmetry_space_group_name_H-M 'B b m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2+z' '-x,1/2+y,z' '1/2-x,1/2+y,1/2+z' 'x,1/2-y,-z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '1/2+x,y,1/2-z' '-x,-y,z' '1/2-x,-y,1/2+z' 'x,1/2-y,z' '1/2+x,1/2-y,1/2+z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,-y,1/2-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 FeM1 0.00000 0.50000 0.00000 1.00000 0.00910 ZnM2 0.06888 0.65849 0.00000 0.58000 0.01680 FeM2 0.06888 0.65849 0.00000 0.42000 0.01680 FeM3 0.32193 0.63906 0.23230 0.94000 0.00870 AlM3 0.32193 0.63906 0.23230 0.06000 0.00870 P1 0.14325 0.54388 0.50000 1.00000 0.00960 P2 0.48312 0.75000 0.00000 1.00000 0.01200 O1 0.54640 0.75000 -0.24790 1.00000 0.02010 O2 0.08110 0.55837 0.25620 1.00000 0.01510 O-H3 0.31470 0.75000 0.38010 1.00000 0.01440 O4 0.18130 0.45950 0.50000 1.00000 0.02780 O-H5 0.21540 0.67450 0.00000 1.00000 0.01980 O-H6 0.07490 0.39470 0.00000 1.00000 0.01370 O7 0.42110 0.67450 0.00000 1.00000 0.01600 O8 0.22380 0.60630 0.50000 1.00000 0.01260 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 FeM1 0.00950 0.00740 0.01030 0.00000 0.00000 -0.00040 ZnM2 0.01580 0.00860 0.02590 0.00000 0.00000 -0.00050 FeM2 0.01580 0.00860 0.02590 0.00000 0.00000 -0.00050 FeM3 0.00950 0.00680 0.00970 0.00010 0.00140 -0.00070 AlM3 0.00950 0.00680 0.00970 0.00010 0.00140 -0.00070 P1 0.00910 0.00560 0.01410 0.00000 0.00000 -0.00040 P2 0.01120 0.00720 0.01760 0.00000 0.00000 0.00000 O1 0.02000 0.01460 0.02500 0.00000 0.01230 0.00000 O2 0.01460 0.01890 0.01170 0.00040 -0.00380 -0.00500 O-H3 0.01900 0.00800 0.01600 0.00000 0.00800 0.00000 O4 0.01900 0.00820 0.05600 0.00000 0.00000 0.00420 O-H5 0.01390 0.00990 0.03600 0.00000 0.00000 0.00250 O-H6 0.01310 0.01510 0.01310 0.00000 0.00000 0.00340 O7 0.01700 0.00960 0.02100 0.00000 0.00000 -0.00430 O8 0.01230 0.01050 0.01500 0.00000 0.00000 -0.00200