data_global _chemical_name_mineral 'Lanthanite-(Nd)' loop_ _publ_author_name 'Morrison S M' 'Andrade M B' 'Wenz M D' 'Domanik K J' 'Downs R T' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 69 _journal_year 2013 _journal_page_first i15 _journal_page_last i16 _publ_section_title ; Lanthanite-(Nd), Nd2(CO3)3*8H2O ; _database_code_amcsd 0019766 _chemical_compound_source 'Mitsukoshi, Hizen-cho, Karatsu City, Saga Prefecture, Japan' _chemical_formula_sum '(Nd.95 La.61 Pr.17 Sm.12 Gd.08 Y.04 Eu.03) C3 O17 H16' _cell_length_a 8.9391 _cell_length_b 9.4694 _cell_length_c 16.9374 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1433.716 _exptl_crystal_density_diffrn 2.820 _symmetry_space_group_name_H-M 'P c c n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '1/2+x,1/2+y,-z' '1/2-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 Nd1 0.25000 0.25000 0.25008 0.47500 0.01450 La1 0.25000 0.25000 0.25008 0.30500 0.01450 Pr1 0.25000 0.25000 0.25008 0.08500 0.01450 Sm1 0.25000 0.25000 0.25008 0.06000 0.01450 Gd1 0.25000 0.25000 0.25008 0.04000 0.01450 Y1 0.25000 0.25000 0.25008 0.02000 0.01450 Eu1 0.25000 0.25000 0.25008 0.01500 0.01450 Nd2 0.25000 0.75000 0.28045 0.47500 0.01381 La2 0.25000 0.75000 0.28045 0.30500 0.01381 Pr2 0.25000 0.75000 0.28045 0.08500 0.01381 Sm2 0.25000 0.75000 0.28045 0.06000 0.01381 Gd2 0.25000 0.75000 0.28045 0.04000 0.01381 Y2 0.25000 0.75000 0.28045 0.02000 0.01381 Eu2 0.25000 0.75000 0.28045 0.01500 0.01381 C1 0.25000 0.75000 0.10611 1.00000 0.02115 C2 0.45965 0.49725 0.28322 1.00000 0.01421 O1 0.32290 0.65751 0.14676 1.00000 0.01811 O2 0.25000 0.75000 0.03271 1.00000 0.06879 O3 0.02339 0.38367 0.20815 1.00000 0.02096 O4 0.02341 0.61601 0.23732 1.00000 0.02160 O5 0.31579 0.49314 0.29412 1.00000 0.01923 Wat1 0.31701 0.38197 0.12154 1.00000 0.02315 Wat2 0.11404 0.32187 0.37844 1.00000 0.02607 Wat3 0.12410 0.64573 0.40530 1.00000 0.03433 Wat4 0.38784 0.38886 0.49720 1.00000 0.07490 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 Nd1 0.01417 0.01111 0.01822 0.00172 0.00000 0.00000 La1 0.01417 0.01111 0.01822 0.00172 0.00000 0.00000 Pr1 0.01417 0.01111 0.01822 0.00172 0.00000 0.00000 Sm1 0.01417 0.01111 0.01822 0.00172 0.00000 0.00000 Gd1 0.01417 0.01111 0.01822 0.00172 0.00000 0.00000 Y1 0.01417 0.01111 0.01822 0.00172 0.00000 0.00000 Eu1 0.01417 0.01111 0.01822 0.00172 0.00000 0.00000 Nd2 0.01354 0.01037 0.01752 -0.00126 0.00000 0.00000 La2 0.01354 0.01037 0.01752 -0.00126 0.00000 0.00000 Pr2 0.01354 0.01037 0.01752 -0.00126 0.00000 0.00000 Sm2 0.01354 0.01037 0.01752 -0.00126 0.00000 0.00000 Gd2 0.01354 0.01037 0.01752 -0.00126 0.00000 0.00000 Y2 0.01354 0.01037 0.01752 -0.00126 0.00000 0.00000 Eu2 0.01354 0.01037 0.01752 -0.00126 0.00000 0.00000 C1 0.01760 0.02236 0.02348 0.00313 0.00000 0.00000 C2 0.01645 0.01192 0.01425 0.00038 -0.00127 0.00139 O1 0.01811 0.01505 0.02117 0.00221 -0.00168 -0.00178 O2 0.09507 0.09436 0.01694 0.07007 0.00000 0.00000 O3 0.02237 0.01210 0.02840 0.00552 -0.00162 0.00007 O4 0.01883 0.01305 0.03290 -0.00389 -0.00218 -0.00293 O5 0.01283 0.01651 0.02836 0.00060 0.00268 0.00083 Wat1 0.02801 0.01592 0.02553 -0.00069 0.00119 -0.00117 Wat2 0.01711 0.03570 0.02541 -0.00099 0.00073 0.00060 Wat3 0.03031 0.04987 0.02281 -0.01530 0.00076 -0.00112 Wat4 0.08902 0.07672 0.05895 -0.02797 0.03460 -0.02871