data_global _chemical_name_mineral 'Adamsite-(Y)' loop_ _publ_author_name 'Grice J D' 'Gault R A' 'Roberts A C' 'Cooper M A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 38 _journal_year 2000 _journal_page_first 1457 _journal_page_last 1466 _publ_section_title ; Adamsite-(Y), a new sodium-yttrium carbonate mineral species from Note: O8 y-coordinate altered ; _database_code_amcsd 0005703 _chemical_compound_source 'Mont Saint-Hilaire, Quebec, Canada' _chemical_formula_sum 'Y.72 Dy.06 Er.05 Gd.04 Nd.03 Yb.02 Sm.02 Ho.02 Ce.01 Tb.01 Tm.01 Na C2 O12 H12' _cell_length_a 6.2592 _cell_length_b 13.0838 _cell_length_c 13.2271 _cell_angle_alpha 91.130 _cell_angle_beta 103.554 _cell_angle_gamma 90.188 _cell_volume 1052.814 _exptl_crystal_density_diffrn 2.260 _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 Y1 0.31140 0.62581 0.00962 0.72000 0.01560 Dy1 0.31140 0.62581 0.00962 0.06000 0.01560 Er1 0.31140 0.62581 0.00962 0.05000 0.01560 Gd1 0.31140 0.62581 0.00962 0.04000 0.01560 Nd1 0.31140 0.62581 0.00962 0.03000 0.01560 Yb1 0.31140 0.62581 0.00962 0.02000 0.01560 Sm1 0.31140 0.62581 0.00962 0.02000 0.01560 Ho1 0.31140 0.62581 0.00962 0.02000 0.01560 Ce1 0.31140 0.62581 0.00962 0.01000 0.01560 Tb1 0.31140 0.62581 0.00962 0.01000 0.01560 Tm1 0.31140 0.62581 0.00962 0.01000 0.01560 Y2 0.80160 0.87428 -0.01011 0.72000 0.01610 Dy2 0.80160 0.87428 -0.01011 0.06000 0.01610 Er2 0.80160 0.87428 -0.01011 0.05000 0.01610 Gd2 0.80160 0.87428 -0.01011 0.04000 0.01610 Nd2 0.80160 0.87428 -0.01011 0.03000 0.01610 Yb2 0.80160 0.87428 -0.01011 0.02000 0.01610 Sm2 0.80160 0.87428 -0.01011 0.02000 0.01610 Ho2 0.80160 0.87428 -0.01011 0.02000 0.01610 Ce2 0.80160 0.87428 -0.01011 0.01000 0.01610 Tb2 0.80160 0.87428 -0.01011 0.01000 0.01610 Tm2 0.80160 0.87428 -0.01011 0.01000 0.01610 Na1 0.42320 0.62510 0.32430 1.00000 0.03600 Na2 0.60220 0.87530 -0.32310 1.00000 0.03330 C1 0.24000 0.87300 -0.04920 1.00000 0.01730 C2 0.87200 0.87380 0.20920 1.00000 0.02310 C3 -0.21100 0.62690 0.04660 1.00000 0.01950 C4 0.16900 0.62620 -0.21150 1.00000 0.02490 O1 0.15130 0.78900 -0.03310 1.00000 0.02290 O2 0.12170 0.95320 -0.04960 1.00000 0.02340 O3 0.43500 0.87940 -0.06220 1.00000 0.27410 O4 0.02960 0.86040 0.16080 1.00000 0.02060 O5 0.67710 0.88860 0.15160 1.00000 0.02560 O6 0.90900 0.87110 0.30790 1.00000 0.03300 O7 0.33250 0.45310 -0.05060 1.00000 0.02220 O8 0.68270 0.71130 0.03320 1.00000 0.02200 O9 -0.00490 0.62040 0.06120 1.00000 0.02700 O10 0.03000 0.61140 -0.15240 1.00000 0.02540 O11 0.37320 0.63950 -0.16020 1.00000 0.02200 O12 0.11100 0.62780 -0.31040 1.00000 0.03300 Wat13 0.67360 0.98510 -0.16620 1.00000 0.02610 Wat14 0.71680 0.76570 -0.17140 1.00000 0.02240 Wat15 0.33800 0.51530 0.16560 1.00000 0.02810 Wat16 0.38660 0.73400 0.17140 1.00000 0.02450 Wat17 0.77800 0.55490 0.40060 1.00000 0.03740 Wat18 0.60500 0.79280 0.41100 1.00000 0.04040 Wat19 0.41200 0.71260 -0.40580 1.00000 0.03900 Wat20 0.89800 0.81020 -0.39010 1.00000 0.04060 Wat21 0.23800 0.94810 -0.39080 1.00000 0.03820 Wat22 0.12400 0.69020 0.38760 1.00000 0.04040 Wat23 0.70400 0.54370 0.60080 1.00000 0.04180 Wat24 0.69800 0.04110 -0.40790 1.00000 0.03710 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 Y1 0.01140 0.01510 0.02070 0.00050 0.00440 0.00000 Dy1 0.01140 0.01510 0.02070 0.00050 0.00440 0.00000 Er1 0.01140 0.01510 0.02070 0.00050 0.00440 0.00000 Gd1 0.01140 0.01510 0.02070 0.00050 0.00440 0.00000 Nd1 0.01140 0.01510 0.02070 0.00050 0.00440 0.00000 Yb1 0.01140 0.01510 0.02070 0.00050 0.00440 0.00000 Sm1 0.01140 0.01510 0.02070 0.00050 0.00440 0.00000 Ho1 0.01140 0.01510 0.02070 0.00050 0.00440 0.00000 Ce1 0.01140 0.01510 0.02070 0.00050 0.00440 0.00000 Tb1 0.01140 0.01510 0.02070 0.00050 0.00440 0.00000 Tm1 0.01140 0.01510 0.02070 0.00050 0.00440 0.00000 Y2 0.01270 0.01530 0.02130 -0.00090 0.00600 0.00000 Dy2 0.01270 0.01530 0.02130 -0.00090 0.00600 0.00000 Er2 0.01270 0.01530 0.02130 -0.00090 0.00600 0.00000 Gd2 0.01270 0.01530 0.02130 -0.00090 0.00600 0.00000 Nd2 0.01270 0.01530 0.02130 -0.00090 0.00600 0.00000 Yb2 0.01270 0.01530 0.02130 -0.00090 0.00600 0.00000 Sm2 0.01270 0.01530 0.02130 -0.00090 0.00600 0.00000 Ho2 0.01270 0.01530 0.02130 -0.00090 0.00600 0.00000 Ce2 0.01270 0.01530 0.02130 -0.00090 0.00600 0.00000 Tb2 0.01270 0.01530 0.02130 -0.00090 0.00600 0.00000 Tm2 0.01270 0.01530 0.02130 -0.00090 0.00600 0.00000 Na1 0.03120 0.03950 0.03760 0.00360 0.00860 0.00110 Na2 0.03270 0.03600 0.03140 0.00160 0.00840 -0.00100 C1 0.01700 0.01790 0.01570 -0.00180 0.00120 -0.00070 C2 0.02690 0.01650 0.02980 -0.00160 0.01460 -0.00040 C3 0.02820 0.01680 0.01540 0.00220 0.00870 -0.00220 C4 0.02920 0.01380 0.03030 0.00030 0.00420 -0.00160 O1 0.02650 0.01820 0.02540 -0.00170 0.00920 0.00040 O2 0.02280 0.01590 0.03280 0.00420 0.00920 -0.00090 O3 0.01620 0.03260 0.03290 0.00170 0.00450 0.00380 O4 0.01490 0.02570 0.02250 0.00000 0.00710 -0.00260 O5 0.01520 0.02790 0.03360 0.00030 0.00530 -0.00050 O6 0.03600 0.04470 0.02150 -0.00140 0.01350 -0.00070 O7 0.01360 0.01860 0.03110 -0.00320 -0.00150 0.00080 O8 0.02070 0.01910 0.02550 -0.00060 0.00440 0.00060 O9 0.01310 0.03240 0.03660 -0.00260 0.00800 -0.00350 O10 0.01710 0.02560 0.03440 -0.00130 0.00750 0.00330 O11 0.01450 0.02740 0.02140 -0.00030 -0.00150 -0.00140 O12 0.02650 0.04300 0.02540 0.00030 -0.00240 -0.00010 Wat13 0.02200 0.02590 0.02730 -0.00160 -0.00090 0.00320 Wat14 0.01950 0.02160 0.02550 0.00080 0.00390 -0.00240 Wat15 0.03010 0.02210 0.03630 0.00400 0.01610 0.00540 Wat16 0.02460 0.02380 0.02410 -0.00240 0.00350 -0.00040 Wat17 0.02460 0.04030 0.04510 0.00140 0.00350 0.00070 Wat18 0.04140 0.04310 0.03990 -0.00320 0.01580 0.00160 Wat19 0.03870 0.03990 0.04040 -0.00350 0.01310 -0.00220 Wat20 0.03280 0.04120 0.05210 0.00140 0.01840 0.00590 Wat21 0.02880 0.03820 0.04980 -0.00140 0.01390 -0.00150 Wat22 0.03100 0.04800 0.04360 -0.00140 0.01130 0.00730 Wat23 0.03040 0.04370 0.05030 -0.00220 0.00770 0.00010 Wat24 0.02790 0.04490 0.03700 -0.00420 0.00480 0.00130