#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/01/1530173.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1530173
loop_
_publ_author_name
'Klevtsova, R.F.'
'Klevtsov, P.V.'
'Kozeeva, L.P.'
_publ_section_title
;
 The Crystal Hydrooxichloride Y3 Cl2 O (O H)5
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              1430
_journal_page_last               1434
_journal_volume                  3
_journal_year                    1967
_chemical_formula_sum            'Cl2 H5 O6 Y3'
_chemical_name_systematic        'Y3 Cl2 O (O H)5'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2c 2bc'
_symmetry_space_group_name_H-M   'P n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.24
_cell_length_b                   13.23
_cell_length_c                   3.73
_cell_volume                     406.627
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Klevtsova_IVNMAW_1967_1932.cif
_cod_data_source_block           H5Cl2O6Y3
_cod_original_cell_volume        406.6267
_cod_original_sg_symbol_Hall     '-P 2ab 2a (z,x,y)'
_cod_original_formula_sum        'H5 Cl2 O6 Y3'
_cod_database_code               1530173
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,z+1/2
-x,-y,-z
-x,y-1/2,z-1/2
x,-y-1/2,z
x,y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 -0.083 0.063 0.75 1 0.0
O3 O-2 0.257 0.092 0.75 1 0.0
Y2 Y+3 0.3984 0.25 0.75 1 0.0
Y1 Y+3 0.0835 0.1128 0.25 1 0.0
O4 O-2 0.248 0.25 0.25 1 0.0
O1 O-2 -0.076 0.25 0.25 1 0.0
Cl1 Cl-1 0.574 0.128 0.25 1 0.0
