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#$Date: 2016-01-01 14:41:50 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172406 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/11/1541158.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_1541158
loop_
_publ_author_name
'Rastsvetaeva, R.K.'
'Volodina, A.N.'
'Andrianov, V.I.'
_publ_section_title
;
 Crystal sructure of Ga2 (Se O3)3 (H2 O)3
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              352
_journal_page_last               356
_journal_volume                  291
_journal_year                    1986
_chemical_formula_sum            'Ga2 H6 O12 Se3'
_chemical_name_systematic        'Ga2 (Se O3)3 (H2 O)3'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.223
_cell_length_b                   9.223
_cell_length_c                   19.941
_cell_volume                     1469.001
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Rastsvetaeva_DANKAS_1986_243.cif
_cod_data_source_block           H6Ga2O12Se3
_cod_original_cell_volume        1469
_cod_chemical_formula_sum_orig   'H6 Ga2 O12 Se3'
_cod_database_code               1541158
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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
O1 O-2 0.1958 0.053 0.0681 1 0.0
Ga1 Ga+3 0 0 0.1259 1 0.0
Ga2 Ga+3 0.3333 0.6667 0.026 1 0.0
Se1 Se+4 0.3868 0.2325 0.0786 1 0.0
H1 H+1 0.126 0.393 0.069 1 0.0
H2 H+1 0.236 0.475 0.136 1 0.0
O2 O-2 0.1499 0.1936 0.1785 1 0.0
O4 O-2 0.195 0.4778 0.0899 1 0.0
O3 O-2 0.4678 0.1792 0.1428 1 0.0