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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/01/2020168.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_2020168
loop_
_publ_author_name
'Aoyama, T.'
'Ohba, S.'
'Saito, Y.'
_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            'Cd H4 Mg N4 O10'
_chemical_name_systematic        'Cd Mg (N O2)4 (H2 O)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.441
_cell_length_b                   6.958
_cell_length_c                   12.017
_cell_volume                     956.210
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Aoyama_ACSCEE_1988_962.cif
_cod_data_source_block           H4Cd1Mg1N4O10
_cod_original_cell_volume        956.21
_cod_original_formula_sum        'H4 Cd1 Mg1 N4 O10'
_cod_database_code               2020168
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
O3 O-2 0.1227 0.2678 0.3128 1 0.0
N1 N+3 -0.0094 -0.2755 0.0796 1 0.0
Cd1 Cd+2 0 0.01472 0.25 1 0.0
N2 N+3 0.1786 0.3105 0.2285 1 0.0
O1 O-2 0.0769 -0.2346 0.1401 1 0.0
Mg1 Mg+2 0.25 0.25 0 1 0.0
H2 H+1 0.325 0.094 0.558 1 0.0
O5 O-2 0.2874 0.0322 0.5015 1 0.0
O4 O-2 0.1539 0.2016 0.1467 1 0.0
H1 H+1 0.314 0.084 0.451 1 0.0
O2 O-2 -0.0984 -0.1732 0.0987 1 0.0
