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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/46/1534640.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_1534640
loop_
_publ_author_name
'Goehausen, I.'
'Wickleder, M.S.'
_publ_section_title
;
 Hydrogenselenate der Selten-Erd-Elemente: Synthese und Kristallstruktur
 von La (H Se O4)3 und Gd (H Se O4) (Se O4)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1115
_journal_page_last               1117
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Gd H O8 Se2'
_chemical_name_systematic        'Gd (H Se O4) (Se O4)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.2037
_cell_length_b                   13.516
_cell_length_c                   10.0404
_cell_volume                     1248.998
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Goehausen_ZAACAB_2001_193.cif
_cod_data_source_block           H1Gd1O8Se2
_cod_original_formula_sum        'H1 Gd1 O8 Se2'
_cod_database_code               1534640
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,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
Se2 Se+6 0.49214 0.56456 0.28462 1 0.0
O3 O-2 0.2606 0.9646 0.4163 1 0.0
O7 O-2 0.4135 0.6342 0.3943 1 0.0
O8 O-2 0.6138 0.6398 0.2004 1 0.0
O1 O-2 0.4871 0.8418 0.4122 1 0.0
Se1 Se+6 0.31139 0.8493 0.40119 1 0.0
H1 H+1 0.659 0.6799 0.251 1 0.0
O6 O-2 0.421 0.5271 0.6501 1 0.0
O2 O-2 0.2345 0.7793 0.5136 1 0.0
O5 O-2 0.3888 0.5314 0.1631 1 0.0
Gd1 Gd+3 0.22031 0.60599 0.54891 1 0.0
O4 O-2 0.2557 0.8112 0.2532 1 0.0
