data_global
_chemical_name_mineral 'Gysinite-(Nd)'
loop_
_publ_author_name
'Feng W J'
'Zhou G P'
'Liu Z B'
'Xu Y'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 63 
_journal_year 2007
_journal_page_first i174
_journal_page_last i174
_publ_section_title
;
 Nd(CO3)(OH) from single-crystal data
;
_database_code_amcsd 0010477
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Nd C O4 H'
_cell_length_a 7.231
_cell_length_b 4.964
_cell_length_c 8.489
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 304.710
_exptl_crystal_density_diffrn      4.823
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-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
Nd   0.35584   0.25000   0.83332   1.00000   0.00774
C   0.19600  -0.25000   0.67930   1.00000   0.00740
O1   0.15250  -0.02580   0.61210   1.00000   0.00950
O2   0.03860   0.25000   0.89490   1.00000   0.01440
O3   0.29410  -0.25000   0.80320   1.00000   0.01410
H   0.00000   0.15400   0.97000   0.50000   0.01700
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
Nd 0.00730 0.00660 0.00930 0.00000 0.00035 0.00000
C 0.00700 0.00600 0.00900 0.00000 0.00280 0.00000
O1 0.01060 0.00750 0.01030 0.00100 0.00050 0.00070
O2 0.01000 0.02400 0.00890 0.00000 0.00020 0.00000
O3 0.02100 0.00800 0.01400 0.00000 -0.00640 0.00000