data_global
_amcsd_formula_title 'Tm(CO3)OH'
loop_
_publ_author_name
'Tahara T'
'Nakai I'
'Miyawaki R'
'Matsubara S'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 222 
_journal_year 2007
_journal_page_first 326
_journal_page_last 334
_publ_section_title
;
 Crystal chemistry of RE(CO3)OH
;
_database_code_amcsd 0019389
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Tm C (O4 H)'
_cell_length_a 9.3951
_cell_length_b 9.3951
_cell_length_c 7.7546
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 684.482
_exptl_crystal_density_diffrn      4.773
_symmetry_space_group_name_H-M 'P 42/n m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2-z'
  '1/2+y,-x,1/2-z'
  '1/2-y,x,1/2+z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,1/2+x,1/2-z'
  'y,1/2-x,1/2+z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '-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
Tm   0.47399   0.52601   0.25000   0.00770
C   0.49660   0.25000   0.09920   0.00780
O-H1   0.25000   0.51320   0.16720   0.01450
O2   0.48760   0.25000   0.26390   0.01630
O3   0.49530   0.63140  -0.01770   0.01110