data_global _chemical_name_mineral 'Hydroxylbastnasite-(Nd)' loop_ _publ_author_name 'Christensen N' _journal_name_full 'Acta Chemica Scandinavica' _journal_volume 27 _journal_year 1973 _journal_page_first 2973 _journal_page_last 2982 _publ_section_title ; Hydrothermal preparation of rare earth hydroxycarbonates. The crystal structure of NdOHCO3 ; _database_code_amcsd 0011933 _chemical_formula_sum 'Nd (O4 C) H' _cell_length_a 12.32 _cell_length_b 12.32 _cell_length_c 9.88 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1298.700 _exptl_crystal_density_diffrn 5.092 _symmetry_space_group_name_H-M 'P -6' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,-z' '-y,x-y,z' 'x,y,-z' '-x+y,-x,z' '-y,x-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Nd1 0.22840 0.12260 0.23750 0.01203 Nd2 0.20920 0.43630 0.26380 0.01051 Nd3 0.55150 0.10600 0.25370 0.01267 O-H13 0.00000 0.00000 0.27200 0.01773 O-H14 0.33330 0.66670 0.23000 0.01900 O-H15 0.66670 0.33330 0.23000 0.01900 O-H16 0.33900 0.01900 0.32100 0.02153 O-H17 0.65400 -0.01200 0.18000 0.03800 C1 0.51000 0.64800 0.00000 0.02153 O1 0.51100 0.75500 0.00000 0.01267 O2 0.51200 0.59600 0.11500 0.01267 C2 0.01440 0.18500 0.00000 0.03800 O3 -0.10100 0.09000 0.00000 0.03800 O4 0.07300 0.23100 0.11500 0.02913 C3 0.46000 0.14900 0.00000 0.03800 O5 0.52900 0.09500 0.00000 0.03800 O6 0.42800 0.17800 0.11500 0.02153 C4 0.44400 0.58000 0.50000 0.02406 O7 0.50100 0.70300 0.50000 0.00253 O8 0.41900 0.51900 0.61500 0.01646 C5 0.47000 0.32200 0.50000 0.06459 O9 0.57200 0.43300 0.50000 0.03800 O10 0.42200 0.26500 0.61500 0.02913 C6 0.17100 0.19600 0.50000 0.03166 O11 0.18300 0.09600 0.50000 0.02913 O12 0.16900 0.24800 0.61500 0.03673 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 0.00999 0.00828 0.01400 0.00770 0.00259 -0.00004 Nd2 0.00163 0.00432 0.00810 -0.00104 0.00760 0.00348 Nd3 0.02026 0.01137 0.02242 0.00613 -0.00353 0.00456