data_global _chemical_name_mineral 'Levinsonite-(Y)' loop_ _publ_author_name 'Rouse R C' 'Peacor D R' 'Essene E J' 'Coskren T D' 'Lauf R J' _journal_name_full 'Geochimica et Cosmochimica Acta' _journal_volume 65 _journal_year 2001 _journal_page_first 1101 _journal_page_last 1115 _publ_section_title ; The new minerals levinsonite-(Y) [(Y,Nd,Ce)Al(SO4)2(C2O4)*12H2O] and zugshunstite-(Ce) [(Ce,Nd,La)Al(SO4)2(C2O4)*12H2O]: coexisting oxalates with different structures and differentiation of LREE and HREE ; _database_code_amcsd 0012661 _chemical_compound_source 'Alum Cave Bluff, Great Smoky Mountains National Park, Tennessee' _chemical_formula_sum '(Y.33 La.03 Ce.12 Pr.03 Nd.23 Sm.12 Eu.02 Gd.08 Dy.04) Al S2 C2 O24 H24' _cell_length_a 10.289 _cell_length_b 9.234 _cell_length_c 11.015 _cell_angle_alpha 90 _cell_angle_beta 108.50 _cell_angle_gamma 90 _cell_volume 992.440 _exptl_crystal_density_diffrn 2.179 _symmetry_space_group_name_H-M 'P 1 2/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,1/2-z' '1/2+x,-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 Y 0.75000 0.51596 0.75000 0.33000 0.01473 La 0.75000 0.51596 0.75000 0.03000 0.01473 Ce 0.75000 0.51596 0.75000 0.12000 0.01473 Pr 0.75000 0.51596 0.75000 0.03000 0.01473 Nd 0.75000 0.51596 0.75000 0.23000 0.01473 Sm 0.75000 0.51596 0.75000 0.12000 0.01473 Eu 0.75000 0.51596 0.75000 0.02000 0.01473 Gd 0.75000 0.51596 0.75000 0.08000 0.01473 Dy 0.75000 0.51596 0.75000 0.04000 0.01473 Al 0.75000 0.17080 0.25000 1.00000 0.01735 S 0.70722 0.68050 0.02782 1.00000 0.01849 C 0.96870 0.43060 0.01800 1.00000 0.01798 O1 0.64450 0.54820 0.05460 1.00000 0.03166 O2 0.90770 0.16590 0.20160 1.00000 0.02457 O3 0.64200 0.17310 0.07680 1.00000 0.02533 O4 0.62830 0.80820 0.04590 1.00000 0.03090 O5 0.42060 0.61850 0.18440 1.00000 0.03141 O6 0.84920 0.69310 0.11080 1.00000 0.02951 O7 0.86390 0.38180 0.93950 1.00000 0.02368 O8 0.02880 0.38070 0.12710 1.00000 0.02318 O9 0.20190 0.31880 0.39150 1.00000 0.02723 Ow10 0.75000 0.37310 0.25000 1.00000 0.02850 Ow11 0.75000 0.96700 0.25000 1.00000 0.02191 Ow12 0.77980 0.03940 0.60220 1.00000 0.04243 Ow13 0.52630 0.07230 0.65200 1.00000 0.04255 H1 0.50800 0.37000 0.76500 1.00000 0.02533 H2 0.07900 0.58900 0.37600 1.00000 0.05066 H3 0.44900 0.82900 0.95200 1.00000 0.05066 H4 0.17100 0.86800 0.52000 1.00000 0.07599 H5 0.29000 0.56000 0.82500 1.00000 0.10132 H6 0.05300 0.91000 0.81300 1.00000 0.07599 H7 0.04500 0.12200 0.88800 1.00000 0.11399 H8 0.05000 0.76700 0.81500 1.00000 0.07599 H9 0.21000 0.09800 0.66200 1.00000 0.10132 H10 0.67000 0.06300 0.80000 1.00000 0.20264 H11 0.18600 0.03700 0.38800 1.00000 0.17731 H12 0.92400 0.06600 0.89000 1.00000 0.15198 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 Y 0.01178 0.01900 0.01168 0.00000 0.00130 0.00000 La 0.01178 0.01900 0.01168 0.00000 0.00130 0.00000 Ce 0.01178 0.01900 0.01168 0.00000 0.00130 0.00000 Pr 0.01178 0.01900 0.01168 0.00000 0.00130 0.00000 Nd 0.01178 0.01900 0.01168 0.00000 0.00130 0.00000 Sm 0.01178 0.01900 0.01168 0.00000 0.00130 0.00000 Eu 0.01178 0.01900 0.01168 0.00000 0.00130 0.00000 Gd 0.01178 0.01900 0.01168 0.00000 0.00130 0.00000 Dy 0.01178 0.01900 0.01168 0.00000 0.00130 0.00000 Al 0.01720 0.01660 0.01720 0.00000 0.00410 0.00000 S 0.01660 0.01850 0.01840 0.00090 0.00240 -0.00170 C 0.01400 0.02000 0.02000 0.00000 0.00580 0.00000 O1 0.03300 0.02700 0.03200 -0.00700 0.00710 0.00400 O2 0.02400 0.01800 0.03500 -0.00150 0.01410 0.00340 O3 0.02210 0.03400 0.01780 0.00460 0.00360 0.00010 O4 0.02700 0.02800 0.03100 0.00940 -0.00030 -0.01100 O5 0.02700 0.04000 0.02400 -0.00700 0.00490 -0.00300 O6 0.01800 0.03600 0.02800 0.00200 -0.00120 -0.00100 O7 0.01950 0.02300 0.02400 -0.00570 0.00080 0.00100 O8 0.02020 0.02500 0.02160 -0.00380 0.00350 0.00410 O9 0.03100 0.03200 0.01990 -0.00200 0.00860 -0.00080 Ow10 0.03900 0.01600 0.02800 0.00000 0.00800 0.00000 Ow11 0.02700 0.01600 0.02200 0.00000 0.00700 0.00000 Ow12 0.04700 0.04500 0.03900 -0.00400 0.01910 -0.00300 Ow13 0.04100 0.03000 0.06300 0.00100 0.02600 0.00600