data_global _chemical_name_mineral 'Hiortdahlite' loop_ _publ_author_name 'Biagioni C' 'Merlino S' 'Parodi G C' 'Perchiazzi N' _journal_name_full 'The Canadian Mineralogist' _journal_volume 50 _journal_year 2012 _journal_page_first 593 _journal_page_last 609 _publ_section_title ; Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea ; _database_code_amcsd 0019478 _chemical_compound_source 'the nepheline syenites of the Los Archipelago, Guinea' _chemical_formula_sum 'Ca4.71 Na1.62 (Zr.74 Ti.26) Mn.67 Si4 O15 F3' _cell_length_a 10.934 _cell_length_b 10.991 _cell_length_c 7.366 _cell_angle_alpha 109.43 _cell_angle_beta 109.60 _cell_angle_gamma 83.56 _cell_volume 786.429 _exptl_crystal_density_diffrn 3.176 _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_occupancy _atom_site_U_iso_or_equiv Ca1 0.40370 0.30740 0.23230 1.00000 0.01770 Ca2 0.90260 0.19360 0.42330 1.00000 0.01340 Ca3 0.89900 0.19140 0.91890 1.00000 0.01050 Ca4 0.12840 0.42330 0.89450 0.84000 0.01280 Na4 0.12840 0.42330 0.89450 0.16000 0.01280 Zr 0.40303 0.29429 0.72160 0.74000 0.01040 Ti 0.40303 0.29429 0.72160 0.26000 0.01040 Mn 0.62720 0.06650 0.47860 0.67000 0.01810 CaM1 0.62720 0.06650 0.47860 0.33000 0.01810 Na 0.12300 0.42260 0.40070 1.00000 0.00990 NaCA 0.62440 0.07750 0.96780 0.46000 0.01780 CaNA 0.62440 0.07750 0.96780 0.54000 0.01780 Si1 0.33390 0.62150 0.82150 1.00000 0.01430 Si2 0.33080 0.62050 0.37720 1.00000 0.01550 Si3 0.18370 0.12700 0.24750 1.00000 0.01670 Si4 0.18640 0.12460 0.80970 1.00000 0.00960 O1 0.35820 0.62030 0.61230 1.00000 0.02900 O2 0.22070 0.14050 0.05400 1.00000 0.03300 O3 0.27130 0.48860 0.23030 1.00000 0.02400 O4 0.03510 0.15690 0.71600 1.00000 0.02200 O5 0.22970 0.73960 0.86840 1.00000 0.02100 O6 0.03410 0.15040 0.21900 1.00000 0.02900 O7 0.48480 0.11360 0.65930 1.00000 0.02300 O8 0.24460 0.74810 0.35990 1.00000 0.02500 O9 0.23610 -0.01680 0.70590 1.00000 0.02400 O10 0.27470 0.24300 0.84120 1.00000 0.02300 O11 0.52220 0.36140 0.60750 1.00000 0.02700 O12 0.28570 0.47610 0.77510 1.00000 0.02400 O13 0.26810 0.24370 0.42580 1.00000 0.02100 O14 0.24080 -0.01480 0.25850 1.00000 0.01900 O15 0.52450 0.33840 0.01840 1.00000 0.02700 F1 -0.00770 0.39080 0.05980 1.00000 0.02100 F2 -0.01130 0.39310 0.57220 1.00000 0.02100 F3 0.50350 0.11360 0.19300 1.00000 0.02900 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 Ca1 0.01520 0.01600 0.01820 0.00390 0.00650 0.00140 Ca2 0.01180 0.01220 0.01170 0.00100 0.00180 0.00040 Ca3 0.00970 0.01050 0.01050 -0.00320 0.00440 -0.00010 Ca4 0.01200 0.01200 0.01300 0.00360 0.00600 0.00180 Na4 0.01200 0.01200 0.01300 0.00360 0.00600 0.00180 Zr 0.00770 0.01220 0.01020 -0.00010 0.00170 0.00300 Ti 0.00770 0.01220 0.01020 -0.00010 0.00170 0.00300 Mn 0.02050 0.01520 0.01710 -0.00110 0.00550 0.00350 CaM1 0.02050 0.01520 0.01710 -0.00110 0.00550 0.00350 Na 0.00900 0.01000 0.00900 0.00200 0.00600 -0.00100 NaCA 0.01900 0.01500 0.01500 -0.00900 0.00400 -0.00200 CaNA 0.01900 0.01500 0.01500 -0.00900 0.00400 -0.00200 Si1 0.00900 0.01500 0.01800 -0.00040 0.00400 0.00520 Si2 0.01700 0.00900 0.01900 0.00070 0.00800 -0.00030 Si3 0.01800 0.01600 0.01300 -0.00140 0.00100 0.00300 Si4 0.00400 0.00600 0.01600 0.00140 0.00180 0.00210