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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/1/53/69/1536909.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_1536909
loop_
_publ_author_name
'Zakharov, M.A.'
'Kemnitz, E.'
'Troyanov, S.I.'
_publ_section_title
;
 Synthesis and crystal structure of the rare earth selenates: Nd(HSeO4)3,
 Sm(HSeO4)3 and Nd2(SeO4)3*5H2O
;
_journal_name_full               Kristallografiya
_journal_page_first              835
_journal_page_last               840
_journal_volume                  49
_journal_year                    2004
_chemical_formula_sum            'H3 Nd O12 Se3'
_chemical_name_systematic        'Nd (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                   9.595
_cell_length_b                   9.595
_cell_length_c                   6.067
_cell_volume                     483.721
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Zakharov_KRISAJ_2004_1256.cif
_cod_data_source_block           H3Nd1O12Se3
_cod_original_cell_volume        483.7206
_cod_original_formula_sum        'H3 Nd1 O12 Se3'
_cod_database_code               1536909
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
O1 O-2 0.4889 0.0375 0.25 1 0.0
Se1 Se+5 0.30179 -0.09833 0.25 1 0.0
Nd1 Nd+3 0.6667 0.3333 0.25 1 0.0
O3 O-2 0.1857 -0.0094 0.25 1 0.0
O2 O-2 0.7578 0.2076 -0.0322 1 0.0
