data_global _chemical_name_mineral 'Allanite-(Nd)' loop_ _publ_author_name 'Skoda R' 'Cempirek J' 'Filip J' 'Novak M' 'Veselovsky F' 'Ctvrtlik R' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 983 _journal_page_last 988 _publ_section_title ; Allanite-(Nd), CaNdAl2Fe2+(SiO4)(Si2O7)O(OH), a new mineral from Askagen, Sweden ; _database_code_amcsd 0018878 _chemical_compound_source 'Askagen pegmatite, Varmland, Sweden' _chemical_formula_sum 'Ca1.16 Mn.128 Nd.712 Al2.036 Fe.964 Si3 O13 H' _cell_length_a 8.8897 _cell_length_b 5.7308 _cell_length_c 10.1010 _cell_angle_alpha 90 _cell_angle_beta 115.166 _cell_angle_gamma 90 _cell_volume 465.751 _exptl_crystal_density_diffrn 3.981 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+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 0.75598 0.75000 0.14977 0.87200 0.01660 Mn1 0.75598 0.75000 0.14977 0.12800 0.01660 Nd2 0.59422 0.75000 0.43015 0.71200 0.01612 Ca2 0.59422 0.75000 0.43015 0.28800 0.01612 Al1 0.00000 0.00000 0.00000 0.86700 0.01110 Fe1 0.00000 0.00000 0.00000 0.13300 0.01110 Al2 0.00000 0.00000 0.50000 1.00000 0.01090 Fe3 0.30158 0.25000 0.21539 0.83100 0.01370 Al3 0.30158 0.25000 0.21539 0.16900 0.01370 Si1 0.33821 0.75000 0.03982 1.00000 0.01190 Si2 0.68558 0.25000 0.27747 1.00000 0.01230 Si3 0.18939 0.75000 0.32483 1.00000 0.01150 O1 0.23180 0.98880 0.02670 1.00000 0.01630 O2 0.31530 0.97250 0.36860 1.00000 0.01750 O3 0.79700 0.01480 0.33600 1.00000 0.01760 O4 0.05620 0.25000 0.12960 1.00000 0.01420 O5 0.05070 0.75000 0.15110 1.00000 0.01440 O6 0.06820 0.75000 0.41160 1.00000 0.01330 O7 0.50900 0.75000 0.18370 1.00000 0.01860 O8 0.54030 0.25000 0.32920 1.00000 0.02500 O9 0.60960 0.25000 0.09820 1.00000 0.02010 O10 0.08740 0.25000 0.42970 1.00000 0.01500 H10 0.07200 0.25000 0.33900 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 0.02430 0.01250 0.01670 0.00000 0.01250 0.00000 Mn1 0.02430 0.01250 0.01670 0.00000 0.01250 0.00000 Nd2 0.01462 0.01892 0.01285 0.00000 0.00393 0.00000 Ca2 0.01462 0.01892 0.01285 0.00000 0.00393 0.00000 Al1 0.01080 0.00880 0.01300 -0.00040 0.00440 0.00020 Fe1 0.01080 0.00880 0.01300 -0.00040 0.00440 0.00020 Al2 0.01080 0.00820 0.01270 0.00000 0.00420 -0.00030 Fe3 0.01180 0.01220 0.01360 0.00000 0.00190 0.00000 Al3 0.01180 0.01220 0.01360 0.00000 0.00190 0.00000 Si1 0.01250 0.01030 0.01230 0.00000 0.00480 0.00000 Si2 0.01310 0.01060 0.01260 0.00000 0.00500 0.00000 Si3 0.01130 0.01090 0.01210 0.00000 0.00490 0.00000 O1 0.01490 0.01130 0.02410 0.00150 0.00960 0.00170 O2 0.01770 0.01750 0.01780 -0.00390 0.00800 -0.00110 O3 0.01490 0.01150 0.01920 0.00110 0.00050 -0.00170 O4 0.01280 0.01490 0.01460 0.00000 0.00550 0.00000 O5 0.01370 0.01500 0.01530 0.00000 0.00700 0.00000 O6 0.01590 0.01090 0.01490 0.00000 0.00840 0.00000 O7 0.01550 0.01850 0.01840 0.00000 0.00400 0.00000 O8 0.01780 0.03860 0.02060 0.00000 0.01000 0.00000 O9 0.02140 0.02470 0.01570 0.00000 0.00940 0.00000 O10 0.01730 0.01360 0.01640 0.00000 0.00940 0.00000