#------------------------------------------------------------------------------
#$Date: 2017-03-27 07:13:23 +0200 (lun 27 de mar de 2017) $
#$Revision: 194538 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310439.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310439
loop_
_publ_author_name
'Matkovic, B.'
'Ribar, B.'
'Zelenko, B.'
'Peterson, S.W.'
_publ_section_title
;
 Refinement of the Structure of Cd (N O3 2 (H2 O)4
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              719
_journal_page_last               725
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'Cd H8 N2 O10'
_chemical_name_systematic        'Cd (N O3)2 (H2 O)4'
_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                   5.828
_cell_length_b                   25.86
_cell_length_c                   11.002
_cell_volume                     1658.134
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Matkovic_ACCRA9_1966_1060.cif
_cod_data_source_block           H8Cd1N2O10
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_formula_sum        'H8 Cd1 N2 O10'
_cod_database_code               2310439
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
_atom_site_attached_hydrogens
O3 O-2 0.465 0.1225 0.0096 1 0.0 0
O4 O-2 0.2512 -0.0244 0.1456 1 0.0 2
O1 O-2 0.3412 0.0469 -0.0645 1 0.0 0
N1 N+5 0.3198 0.0875 -0.0105 1 0.0 0
Cd1 Cd+2 0 0 0 1 0.0 0
O2 O-2 0.1427 0.0923 0.0524 1 0.0 0
O5 O-2 0.1825 -0.0498 -0.148 1 0.0 2
