data_9007776
_publ_section_title
;
 Structure of hexaaquadichloroyttrium(III) chloride
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              960
_journal_page_last               962
_journal_paper_doi               10.1107/S0108270189009236
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     YCl2(H2O)6Cl
_chemical_formula_sum            'Cl3 O6 Y'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.768
_cell_angle_gamma                90
_cell_length_a                   7.8346
_cell_length_b                   6.4729
_cell_length_c                   9.5817
_cell_volume                     484.862
_exptl_crystal_density_diffrn    1.995
_[local]_cod_chemical_formula_sum_orig 'Y Cl3 O6'
_cod_database_code               9007776
loop_
_symmetry_equiv_pos_as_xyz
x,y,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_U_iso_or_equiv
Y1 0.25000 0.15560 0.25000 0.01700
Cl1 0.26050 -0.16020 0.06030 0.02800
Cl2 0.75000 -0.37480 0.25000 0.03000
O1 0.10710 0.29990 0.43620 0.02900
O2 0.08940 0.42470 0.14600 0.02900
O3 -0.03910 0.05300 0.21810 0.02900
