data_global _chemical_name_mineral 'Angarfite' loop_ _publ_author_name 'Kampf A R' 'Mills S J' 'Housley R M' 'Favreau G' 'Boulliard J C' 'Bourgoin V' _journal_name_full 'The Canadian Mineralogist' _journal_volume 50 _journal_year 2012 _journal_page_first 781 _journal_page_last 791 _publ_section_title ; Angarfite, NaFe3+5(PO4)4(OH)4*4H2O, a new mineral species from the Angarf-Sud pegmatite, Morocco: description and crystal structure ; _database_code_amcsd 0019585 _chemical_compound_source 'Angarf-Sud pegmatite, Morocco' _chemical_formula_sum 'Na.365 (Fe3.797 Mg1.203) P4 O24 H12' _cell_length_a 12.7997 _cell_length_b 17.9081 _cell_length_c 8.2112 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1882.157 _exptl_crystal_density_diffrn 2.716 _symmetry_space_group_name_H-M 'C 2 2 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' 'x,-y,-z' '1/2+x,1/2-y,-z' '-x,-y,1/2+z' '1/2-x,1/2-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 Na 0.47760 0.00000 0.00000 0.36500 0.08900 Fe1 0.11879 0.00000 0.00000 0.96100 0.00900 Mg1 0.11879 0.00000 0.00000 0.03900 0.00900 Fe2 0.13261 0.74543 0.81131 0.65600 0.01080 Mg2 0.13261 0.74543 0.81131 0.34400 0.01080 Fe3 0.12964 0.75536 0.20026 0.76200 0.01240 Mg3 0.12964 0.75536 0.20026 0.23800 0.01240 P1 0.96324 0.84964 0.98805 1.00000 0.01030 P2 0.29583 0.14343 0.00075 1.00000 0.01080 O1 0.89390 0.82487 0.84880 1.00000 0.01750 O2 0.99750 0.93072 0.96190 1.00000 0.01480 O3 0.90340 0.84281 0.15030 1.00000 0.01750 O4 0.06196 0.79926 0.99850 1.00000 0.01330 O5 0.22146 0.07858 0.01800 1.00000 0.01900 O6 0.40855 0.11783 0.99940 1.00000 0.02420 O7 0.27770 0.19970 0.14260 1.00000 0.01410 O8 0.27120 0.18688 0.84040 1.00000 0.01480 O-h1 0.00000 0.69970 0.25000 1.00000 0.01680 H1 -0.00700 0.65800 0.18600 0.50000 0.02000 O-h2 0.00000 0.69000 0.75000 1.00000 0.02010 H2 -0.03600 0.67600 0.84000 0.50000 0.02400 O-h3 0.17020 0.68182 0.01280 1.00000 0.02250 H3 0.23700 0.66900 0.00200 1.00000 0.02700 OW1 0.12720 0.98473 0.24880 1.00000 0.01800 HW1A 0.10200 1.01600 0.31500 1.00000 0.02200 HW1B 0.11200 0.93810 0.26800 1.00000 0.02200 Wat2A 0.65480 0.03350 0.13600 0.50000 0.09200 Wat2B 0.60400 0.00760 0.21400 0.50000 0.17700 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 Na 0.11400 0.01700 0.13500 0.00000 0.00000 0.01200 Fe1 0.00890 0.00800 0.01000 0.00000 0.00000 0.00020 Mg1 0.00890 0.00800 0.01000 0.00000 0.00000 0.00020 Fe2 0.01140 0.01220 0.00890 0.00350 0.00110 0.00018 Mg2 0.01140 0.01220 0.00890 0.00350 0.00110 0.00018 Fe3 0.01070 0.01610 0.01050 0.00240 -0.00040 0.00245 Mg3 0.01070 0.01610 0.01050 0.00240 -0.00040 0.00245 P1 0.00970 0.00920 0.01190 -0.00120 0.00060 -0.00110 P2 0.01090 0.01080 0.01090 -0.00160 0.00030 -0.00030 O1 0.01620 0.01720 0.01890 0.00080 -0.00530 -0.00350 O2 0.01320 0.00910 0.02200 -0.00140 -0.00100 0.00010 O3 0.01700 0.01880 0.01690 0.00040 0.00410 -0.00160 O4 0.01250 0.01390 0.01360 0.00340 -0.00010 0.00060 O5 0.02130 0.01390 0.02170 -0.00610 0.00260 0.00080 O6 0.01550 0.02890 0.02810 0.00480 -0.00050 0.00000 O7 0.01530 0.01450 0.01240 -0.00250 -0.00100 -0.00160 O8 0.01660 0.01560 0.01210 -0.00100 0.00220 0.00140 O-h1 0.01600 0.01500 0.01960 0.00000 0.00410 0.00000 O-h2 0.01800 0.02050 0.02100 0.00000 -0.00110 0.00000 O-h3 0.02900 0.01980 0.01870 -0.00090 0.00120 -0.00250 OW1 0.02380 0.01580 0.01440 0.00180 0.00400 0.00320