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