data_global _chemical_name_mineral 'Franconite' loop_ _publ_author_name 'Haring M M M' 'McDonald A M' _journal_name_full 'Mineralogical Magazine' _journal_volume 78 _journal_year 2014 _journal_page_first 591 _journal_page_last 607 _publ_section_title ; Franconite, NaNb2O5(OH)*3H2O: structure determination and the role of H bonding, with comments on the crystal chemistry of franconite-related minerals ; _database_code_amcsd 0020435 _chemical_compound_source 'Poudrette quarry, Quebec, Canada' _chemical_formula_sum 'Na.73 Ca.13 Nb1.96 Ti.02 Si.02 Al.01 O9 H7' _cell_length_a 10.119 _cell_length_b 6.436 _cell_length_c 12.682 _cell_angle_alpha 90 _cell_angle_beta 99.91 _cell_angle_gamma 90 _cell_volume 813.603 _exptl_crystal_density_diffrn 2.914 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 Na1 0.52880 0.24540 0.33950 0.73000 0.03040 Ca1 0.52880 0.24540 0.33950 0.13000 0.03040 Nb1 0.16333 0.27420 0.40382 0.98000 0.01200 Ti1 0.16333 0.27420 0.40382 0.01000 0.01200 Si1 0.16333 0.27420 0.40382 0.01000 0.01200 Al1 0.16333 0.27420 0.40382 0.00500 0.01200 Nb2 -0.00108 0.18674 0.60733 0.98000 0.01190 Ti2 -0.00108 0.18674 0.60733 0.01000 0.01190 Si2 -0.00108 0.18674 0.60733 0.01000 0.01190 Al2 -0.00108 0.18674 0.60733 0.00500 0.01190 O1 0.17100 0.25160 0.55860 1.00000 0.01470 O2 -0.16730 0.02870 0.61700 1.00000 0.01600 O3 0.07290 0.19630 0.74890 1.00000 0.01910 O4 -0.08450 0.43910 0.58620 1.00000 0.01790 O5 0.32900 0.33950 0.39590 1.00000 0.02230 O6 0.04830 -0.13830 0.57140 1.00000 0.01340 Ow7 0.74210 0.38540 0.31780 1.00000 0.02800 Ow8 0.60840 0.25360 0.52860 1.00000 0.03100 Ow9 0.43350 0.37800 0.16410 1.00000 0.03700 H1 0.12400 -0.20000 0.61900 1.00000 0.01000 H2 0.78000 0.50000 0.36400 1.00000 0.07000 H3 0.78000 0.41000 0.25400 1.00000 0.07000 H4 0.60000 0.39500 0.55300 1.00000 0.06000 H5 0.68000 0.17000 0.57000 1.00000 0.11000 H6 0.34700 0.32000 0.13300 1.00000 0.02000 H7 0.51100 0.37000 0.12800 1.00000 0.08000 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 Na1 0.03200 0.03000 0.03000 0.00200 0.00800 0.00100 Ca1 0.03200 0.03000 0.03000 0.00200 0.00800 0.00100 Nb1 0.01980 0.00710 0.00990 0.00010 0.00430 0.00030 Ti1 0.01980 0.00710 0.00990 0.00010 0.00430 0.00030 Si1 0.01980 0.00710 0.00990 0.00010 0.00430 0.00030 Al1 0.01980 0.00710 0.00990 0.00010 0.00430 0.00030 Nb2 0.02280 0.00570 0.00760 0.00010 0.00450 -0.00060 Ti2 0.02280 0.00570 0.00760 0.00010 0.00450 -0.00060 Si2 0.02280 0.00570 0.00760 0.00010 0.00450 -0.00060 Al2 0.02280 0.00570 0.00760 0.00010 0.00450 -0.00060 O1 0.02100 0.01100 0.01200 0.00000 0.00300 0.00100 O2 0.02500 0.01100 0.01400 0.00100 0.00700 0.00000 O3 0.03500 0.01400 0.00900 -0.00100 0.00400 0.00000 O4 0.03200 0.00600 0.01600 0.00300 0.00700 0.00000 O5 0.02400 0.02200 0.02200 -0.00100 0.01000 -0.00300 O6 0.02100 0.00800 0.01100 0.00100 0.00200 -0.00300 Ow7 0.03500 0.02600 0.02400 -0.00800 0.00900 0.00100 Ow8 0.03100 0.03000 0.03100 0.00200 0.00100 -0.00100 Ow9 0.03500 0.03700 0.03700 -0.00600 0.00200 0.00300