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#$Date: 2015-10-09 19:24:20 +0300 (Fri, 09 Oct 2015) $
#$Revision: 162507 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/52/1535240.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_1535240
loop_
_publ_author_name
'Merinov, B.V.'
'Antipin, M.Yu.'
'Struchkov, Yu.T.'
'Tregubchenko, A.M.'
'Baranov, A.I.'
'Shuvalov, L.A.'
_publ_section_title
;
 Atomic structure of superionic phase of (N H4)3 H (Se O4)2 crystals
;
_journal_name_full               Kristallografiya
_journal_page_first              872
_journal_page_last               875
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'H13 N3 O8 Se2'
_chemical_name_systematic        '(N H4)3 H (Se O4)2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.052
_cell_length_b                   6.052
_cell_length_c                   22.97
_cell_volume                     728.601
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Merinov_KRISAJ_1991_1161.cif
_cod_data_source_block           H13N3O8Se2
_cod_original_cell_volume        728.6005
_cod_database_code               1535240
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
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+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-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+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
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+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-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+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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 0.377 0.623 0.004 0.333 0.0
N2 N-3 0.6667 0.3333 0.1348 1 0.0
O1 O-2 0.1875 0.375 0.097 1 0.0
Se1 Se+6 0.3333 0.6667 0.07582 1 0.0
N1 N-3 0 0 0 1 0.0
