data_global
_amcsd_formula_title 'Na3YCl6'
loop_
_publ_author_name
'Liao W'
'Dronskowski R'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 60 
_journal_year 2004
_journal_page_first i72
_journal_page_last i73
_publ_section_title
;
 Trisodium yttrium(III) hexachloride
;
_database_code_amcsd 0010431
_chemical_formula_sum 'Na3 Y Cl6'
_cell_length_a 6.8558
_cell_length_b 7.2550
_cell_length_c 10.1444
_cell_angle_alpha 90
_cell_angle_beta 90.869
_cell_angle_gamma 90
_cell_volume 504.513
_exptl_crystal_density_diffrn      2.440
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+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_U_iso_or_equiv
Na1   0.52260   0.42510   0.24215   0.05140
Na2   0.50000   0.00000   0.00000   0.03540
Y   0.00000   0.50000   0.00000   0.02038
Cl1   0.13788   0.56484   0.23953   0.03117
Cl2   0.16846   0.80526  -0.07710   0.03910
Cl3   0.31504   0.32048  -0.06380   0.03890
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
Na1 0.04490 0.03630 0.07300 -0.00640 0.00330 0.00280
Na2 0.03540 0.03000 0.04050 0.00370 -0.00530 -0.00340
Y 0.02109 0.02026 0.01983 -0.00047 0.00127 -0.00124
Cl1 0.03530 0.03620 0.02190 0.00310 -0.00410 -0.00360
Cl2 0.03710 0.02970 0.05010 -0.01220 -0.00720 0.01220
Cl3 0.03390 0.03580 0.04720 0.01470 0.01140 0.00920