#------------------------------------------------------------------------------
#$Date: 2017-07-12 10:07:33 +0300 (Wed, 12 Jul 2017) $
#$Revision: 198667 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/18/1541865.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_1541865
loop_
_publ_author_name
'Milinski, N.'
'Ribar, B.'
'Sataric, M.'
_publ_section_title
;
 Pentaaquatrinitratocerium(III) monohydrate, Ce (H2 O)5 (N O3)3 * H2 O
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              473
_journal_page_last               477
_journal_volume                  9
_journal_year                    1980
_chemical_formula_sum            'Ce H12 N3 O15'
_chemical_name_systematic        '(Ce (N O3)3 (H2 O)5) (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                78.76
_cell_angle_beta                 102.19
_cell_angle_gamma                92.08
_cell_formula_units_Z            2
_cell_length_a                   8.886
_cell_length_b                   10.671
_cell_length_c                   6.612
_cell_volume                     601.068
_citation_journal_id_ASTM        CSCMCS
_cod_data_source_file            Milinski_CSCMCS_1980_1380.cif
_cod_data_source_block           H12Ce1N3O15
_cod_original_cell_volume        601.0677
_cod_original_formula_sum        'H12 Ce1 N3 O15'
_cod_database_code               1541865
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
_atom_site_attached_hydrogens
Ce1 Ce+3 0.30379 0.24311 0.14898 1 0.0 0
N1 N+5 0.1717 -0.0294 0.3033 1 0.0 0
N3 N+5 0.6402 0.1967 0.1171 1 0.0 0
N2 N+5 0.2952 0.5256 0.2348 1 0.0 0
O1 O-2 0.0751 0.0522 0.1974 1 0.0 0
O2 O-2 0.3093 0.0069 0.3426 1 0.0 0
O3 O-2 0.1377 -0.1412 0.3602 1 0.0 0
O4 O-2 0.1734 0.4897 0.1292 1 0.0 0
O5 O-2 0.4133 0.4559 0.2674 1 0.0 0
O6 O-2 0.3004 0.6237 0.3052 1 0.0 0
O7 O-2 0.541 0.108 0.1193 1 0.0 0
O8 O-2 0.5918 0.307 0.1154 1 0.0 0
O9 O-2 0.7723 0.1752 0.119 1 0.0 0
O10 O-2 0.0379 0.2985 -0.0723 1 0.0 2
O11 O-2 0.2416 0.1047 -0.1476 1 0.0 2
O12 O-2 0.3231 0.3924 -0.192 1 0.0 2
O13 O-2 0.4853 0.2025 0.5102 1 0.0 2
O14 O-2 0.1679 0.2654 0.4339 1 0.0 2
O15 O-2 0.8978 0.4023 0.3762 1 0.0 2
