#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/46/1534638.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_1534638
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            'H3 La O12 Se3'
_chemical_name_systematic        'La (H Se O4)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.717
_cell_length_b                   9.717
_cell_length_c                   6.1696
_cell_volume                     504.489
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Goehausen_ZAACAB_2001_192.cif
_cod_data_source_block           H3La1O12Se3
_cod_original_cell_volume        504.4894
_cod_original_formula_sum        'H3 La1 O12 Se3'
_cod_database_code               1534638
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,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
O3 O-2 0.1874 0.1955 0.25 1 0.0
Se1 Se+6 0.30036 0.39852 0.25 1 0.0
O1 O-2 0.4846 0.4492 0.25 1 0.0
O2 O-2 0.2427 0.4477 0.0349 1 0.0
H1 H+1 0.1367 0.1207 0.25 1 0.0
La1 La+3 0.6667 0.3333 0.25 1 0.0
