data_global
_chemical_name_mineral 'Thomasclarkite-(Y)'
loop_
_publ_author_name
'Grice J D'
'Gault R A'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 36 
_journal_year 1998
_journal_page_first 1293
_journal_page_last 1300
_publ_section_title
;
 Thomasclarkite-(Y), a new sodium - rare-earth-element bicarbonate mineral
 species from Mont Saint-Hilaire, Quebec
 Note: z-coodinate for OH2 changed.
;
_database_code_amcsd 0005579
_chemical_compound_source 'Mont Saint-Hilaire, Quebec, Canada'
_chemical_formula_sum 'Na Y C O12 H15'
_cell_length_a 4.556
_cell_length_b 13.018
_cell_length_c 4.556
_cell_angle_alpha 90
_cell_angle_beta 90.15
_cell_angle_gamma 90
_cell_volume 270.215
_exptl_crystal_density_diffrn      2.034
_symmetry_space_group_name_H-M 'P 1 2 1'
loop_
_space_group_symop_operation_xyz
  '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
Na   0.00000   0.31900   0.00000   0.04300
Y   0.00000   0.00000   0.00000   0.02090
C   0.00000   0.78190   0.00000   0.03100
O1   0.81400   0.83200   0.20400   0.04900
O-H2   0.00000   0.68060   0.00000   0.02700
O-H3   0.16900   0.16730   0.21000   0.04800
O-H4   0.19900  -0.03800   0.50000   0.03200
Wat5   0.20500   0.39110   0.49900   0.05700
Wat6   0.82400   0.60800   0.48700   0.06800
Wat7   0.50000   0.04770   0.50000   0.04200