data_global _chemical_name_mineral 'Ferro-ferri-nyboite' loop_ _publ_author_name 'Lussier A J' 'Hawthorne F C' 'Abdu Y A' 'Ball N A' 'Tait K T' 'Back M E' 'Steede A H' 'Taylor R' 'McDonald A M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 52 _journal_year 2015 _journal_page_first 1019 _journal_page_last 1026 _publ_section_title ; Ferro-ferri-nyboite, NaNa2(Fe2+3Fe3+2)Si8O22(OH)2, a new clinoamphibole from Mont Saint-Hilaire, Quebec, Canada: description and crystal structure ; _database_code_amcsd 0020466 _chemical_compound_source 'Mont Saint-Hilaire, Quebec, Canada' _chemical_formula_sum 'Si7.41 Al.59 Fe4.53 Mn.31 Ti.06 Zn.01 Mg.06 Na2.51 Ca.17 K.27 O23.58 F.42 H1.58' _cell_length_a 9.9190 _cell_length_b 18.0885 _cell_length_c 5.3440 _cell_angle_alpha 90 _cell_angle_beta 103.813 _cell_angle_gamma 90 _cell_volume 931.091 _exptl_crystal_density_diffrn 3.428 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 Si1 0.27830 0.08604 0.29111 0.85250 0.00703 Al1 0.27830 0.08604 0.29111 0.14750 0.00703 Si2 0.28889 0.17093 0.80075 1.00000 0.00808 Fe1 0.00000 0.09148 0.50000 0.89500 0.01009 Mn1 0.00000 0.09148 0.50000 0.10500 0.01009 Fe2+2 0.00000 0.18347 0.00000 0.33000 0.00791 Fe3+2 0.00000 0.18347 0.00000 0.64000 0.00791 Ti2 0.00000 0.18347 0.00000 0.03000 0.00791 Fe3 0.00000 0.00000 0.00000 0.80000 0.00910 Mn3 0.00000 0.00000 0.00000 0.10000 0.00910 Zn3 0.00000 0.00000 0.00000 0.01000 0.00910 Mg3 0.00000 0.00000 0.00000 0.06000 0.00910 Na4 0.00000 0.27795 0.50000 0.91500 0.01670 Ca4 0.00000 0.27795 0.50000 0.08500 0.01670 NaA2 0.00000 0.51270 0.00000 0.11330 0.01710 KA2 0.00000 0.51270 0.00000 0.04500 0.01710 NaAm 0.03680 0.50000 0.09100 0.11330 0.01710 KAm 0.03680 0.50000 0.09100 0.04500 0.01710 NaAm2 0.08500 0.50000 0.16000 0.11330 0.01710 KAm2 0.08500 0.50000 0.16000 0.04500 0.01710 O1 0.10960 0.09085 0.20690 1.00000 0.01020 O2 0.12071 0.17298 0.73490 1.00000 0.01080 O3 0.10990 0.00000 0.70740 0.79000 0.02210 F3 0.10990 0.00000 0.70740 0.21000 0.02210 O4 0.36500 0.24827 0.79750 1.00000 0.01340 O5 0.34760 0.12845 0.08000 1.00000 0.01450 O6 0.33940 0.11873 0.58210 1.00000 0.01430 O7 0.33270 0.00000 0.29400 1.00000 0.01550 H 0.21300 0.00000 0.75400 0.79000 0.01500 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 Si1 0.00790 0.00620 0.00650 0.00010 0.00090 0.00020 Al1 0.00790 0.00620 0.00650 0.00010 0.00090 0.00020 Si2 0.00810 0.00840 0.00790 -0.00110 0.00210 -0.00020 Fe1 0.01180 0.01020 0.00860 0.00000 0.00319 0.00000 Mn1 0.01180 0.01020 0.00860 0.00000 0.00319 0.00000 Fe2+2 0.00820 0.00690 0.00880 0.00000 0.00238 0.00000 Fe3+2 0.00820 0.00690 0.00880 0.00000 0.00238 0.00000 Ti2 0.00820 0.00690 0.00880 0.00000 0.00238 0.00000 Fe3 0.01160 0.00690 0.00850 0.00000 0.00170 0.00000 Mn3 0.01160 0.00690 0.00850 0.00000 0.00170 0.00000 Zn3 0.01160 0.00690 0.00850 0.00000 0.00170 0.00000 Mg3 0.01160 0.00690 0.00850 0.00000 0.00170 0.00000 Na4 0.02030 0.01300 0.02100 0.00000 0.01340 0.00000 Ca4 0.02030 0.01300 0.02100 0.00000 0.01340 0.00000 O1 0.00970 0.01190 0.00860 -0.00120 0.00160 -0.00060 O2 0.00930 0.01130 0.01130 0.00020 0.00120 -0.00130 O3 0.02270 0.02160 0.02180 0.00000 0.00460 0.00000 F3 0.02270 0.02160 0.02180 0.00000 0.00460 0.00000 O4 0.01650 0.01110 0.01410 -0.00540 0.00640 -0.00190 O5 0.01250 0.01850 0.01250 0.00070 0.00290 0.00560 O6 0.01320 0.01650 0.01330 -0.00030 0.00340 -0.00560 O7 0.01340 0.00980 0.02210 0.00000 0.00230 0.00000