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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/1/53/60/1536062.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_1536062
loop_
_publ_author_name
'Vigdorchik, A.G.'
'Verin, I.A.'
'Malinovskii, Yu.A.'
'Dryuchko, A.G.'
_publ_section_title
;
 Low-temperature X-ray investigation of potassium-neodymium
 nitratesK3(Nd2(NO3)9) and K2(Nd(NO3)5(H2O)2).
;
_journal_name_full               Kristallografiya
_journal_page_first              882
_journal_page_last               888
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'H4 K2 N5 Nd O17'
_chemical_name_systematic        'K2 Nd (N O3)5 (H2 O)2'
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.137
_cell_length_b                   21.272
_cell_length_c                   12.151
_cell_volume                     2878.648
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Vigdorchik_KRISAJ_1992_1317.cif
_cod_data_source_block           H4K2N5Nd1O17
_cod_original_formula_sum        'H4 K2 N5 Nd1 O17'
_cod_database_code               1536062
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/4,y+1/4,z+1/4
x+3/4,-y+3/4,z+1/4
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/4,y+3/4,z+3/4
x+3/4,-y+5/4,z+3/4
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
-x+3/4,y+1/4,z+3/4
x+5/4,-y+3/4,z+3/4
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-x+3/4,y+3/4,z+1/4
x+5/4,-y+5/4,z+1/4
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
O4 O-2 0.1412 0.0585 0.857 1 0.0
N2 N+5 0.0573 0.0741 0.793 1 0.0
Nd1 Nd+3 0 0 0 1 0.0
O3 O-2 0.3685 0.0173 0.0749 1 0.0
O6 O-2 0.0766 0.1016 0.7057 1 0.0
N3 N+5 0 0 0.2555 1 0.0
O2 O-2 0.2202 0.9606 0.0135 1 0.0
O1 O-2 0.1837 0.0493 0.092 1 0.0
O9 O-2 0.9856 0.1222 0.0262 1 0.0
O5 O-2 0.9511 0.0604 0.823 1 0.0
O8 O-2 0 0 0.3672 1 0.0
O7 O-2 0.0403 0.9542 0.2022 1 0.0
K1 K+1 0.0583 0.1036 0.4811 1 0.0
N1 N+5 0.2616 0.0093 0.0603 1 0.0
