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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/21/1522141.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_1522141
loop_
_publ_author_name
'Wang, X.-Q.'
'Liu, L.-M.'
'Jacobson, A.J.'
_publ_section_title
;
 Synthesis and structures of yttrium-transition metal sulfates Y M (O H)3
 (S O4), M = Ni, Cu
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              641
_journal_page_last               646
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'Cu H3 O7 S Y'
_chemical_name_systematic        'Y Cu (O H)3 (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9557
_cell_length_b                   6.1349
_cell_length_c                   6.3528
_cell_volume                     543.907
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Wang_JSSCBI_1999_363.cif
_cod_data_source_block           H3Cu1O7S1Y1
_cod_original_cell_volume        543.9066
_cod_original_formula_sum        'H3 Cu1 O7 S1 Y1'
_cod_database_code               1522141
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
S1 S+6 0.1922 0.25 0.7656 1 0.0
O1 O-2 0.136 0.25 0.9614 1 0.0
O3 O-2 0.3297 0.9447 0.14 1 0.0
O2 O-2 0.2959 0.25 0.8085 1 0.0
Y1 Y+3 0.418 0.25 0.0613 1 0.0
Cu1 Cu+2 0.5 0 0.5 1 0.0
O4 O-2 0.4635 0.9909 0.8026 1 0.0
O5 O-2 0.4194 0.25 0.4361 1 0.0
