#------------------------------------------------------------------------------
#$Date: 2017-03-27 07:13:23 +0200 (lun 27 de mar de 2017) $
#$Revision: 194538 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/01/2020169.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_2020169
loop_
_publ_author_name
'Aoyama, T.'
'Saito, Y.'
'Ohba, S.'
_publ_section_title
;
 Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium
 tetranitrite tetrahydrate and cadmium strontium tetranitrite
 tetrahydrate.
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1703
_journal_page_last               1707
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'Ca Cd H8 N4 O12'
_chemical_name_systematic        'Cd Ca (N O2)4 (H2 O)4'
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.5003
_cell_length_b                   7.5003
_cell_length_c                   18.413
_cell_volume                     897.041
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Aoyama_ACSCEE_1988_965.cif
_cod_data_source_block           H8Ca1Cd1N4O12
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_cell_volume        897.0413
_cod_original_formula_sum        'H8 Ca1 Cd1 N4 O12'
_cod_database_code               2020169
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+2/3
-x+y,-x,z+1/3
y,x,-z
-x,-x+y,-z+2/3
x-y,-y,-z+1/3
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
O2 O-2 -0.1234 -0.2773 -0.2391 1 0.0 0
O1 O-2 -0.3395 -0.1879 -0.2682 1 0.0 0
O5 O-2 -0.2528 -0.524 -0.0788 1 0.0 2
N2 N+3 0.253 0.2838 -0.2314 1 0.0 0
Cd1 Cd+2 -0.03799 0 -0.3333 1 0.0 0
Ca1 Ca+2 0 -0.4876 -0.1667 1 0.0 0
O4 O-2 0.0789 0.2654 -0.2398 1 0.0 0
N1 N+3 -0.3005 -0.3058 -0.2294 1 0.0 0
O6 O-2 -0.3088 -0.7514 -0.2247 1 0.0 2
O3 O-2 0.286 0.1663 -0.2729 1 0.0 0
