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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/8/10/39/8103943.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_8103943
loop_
_publ_author_name
'Stockhause, S.'
'Meyer, G.'
_publ_section_title
;
 Crystal structure of gadolinium trinitrate pentahydrate, (Gd (N O3)3 (H2
 O)4) (H2 O)
;
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              315
_journal_page_last               315
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'Gd H10 N3 O14'
_chemical_name_systematic        '(Gd (H2 O)4) (N O3)3 (H2 O)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                63.704
_cell_angle_beta                 84.68
_cell_angle_gamma                76.187
_cell_formula_units_Z            2
_cell_length_a                   6.6923
_cell_length_b                   9.588
_cell_length_c                   10.622
_cell_volume                     593.300
_citation_journal_id_ASTM        ZKNSFT
_cod_data_source_file            Stockhause_ZKNSFT_1997_1996.cif
_cod_data_source_block           H10Gd1N3O14
_cod_original_cell_volume        593.3004
_cod_original_formula_sum        'H10 Gd1 N3 O14'
_cod_database_code               8103943
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
N2 N+5 0.4763 -0.1869 0.3556 1 0.0
O12 O-2 0.2996 0.404 0.0308 1 0.0
O13 O-2 0.5932 0.1148 0.1061 1 0.0
O9 O-2 -0.1374 0.3454 0.4404 1 0.0
Gd1 Gd+3 0.25403 0.15068 0.20541 1 0.0
O5 O-2 0.3973 -0.1389 0.2362 1 0.0
O14 O-2 0.5 0.4508 -0.2187 1 0.0
O3 O-2 -0.0481 0.2413 -0.1637 1 0.0
O8 O-2 0.0901 0.1489 0.4312 1 0.0
O4 O-2 0.4401 -0.0833 0.4059 1 0.0
O1 O-2 -0.0497 0.283 0.022 1 0.0
O6 O-2 0.5783 -0.3203 0.4191 1 0.0
O7 O-2 -0.0072 0.3592 0.2426 1 0.0
N3 N+5 -0.0217 0.2873 0.3753 1 0.0
O11 O-2 -0.0165 -0.0064 0.2804 1 0.0
O10 O-2 0.4718 0.2388 0.3064 1 0.0
O2 O-2 0.2046 0.1168 -0.0106 1 0.0
N1 N+5 0.0319 0.216 -0.055 1 0.0
