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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/1/52/99/1529912.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_1529912
loop_
_publ_author_name
'Eriksson, L.'
'Louer, D.'
'Werner, P.E.'
_publ_section_title
;
 Crystal structure determination and rietveld refinement of Zn (O H) (N
 O3) (H2 O)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              9
_journal_page_last               20
_journal_volume                  81
_journal_year                    1989
_chemical_formula_sum            'H3 N O5 Zn'
_chemical_name_systematic        'Zn (O H) (N O3) (H2 O)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.91
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.951
_cell_length_b                   3.26
_cell_length_c                   14.272
_cell_volume                     757.503
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Eriksson_JSSCBI_1989_1803.cif
_cod_data_source_block           H3N1O5Zn1
_cod_original_cell_volume        757.5028
_cod_original_formula_sum        'H3 N1 O5 Zn1'
_cod_database_code               1529912
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
O5 O-2 0.001 0.769 0.336 1 0.0
O10 O-2 0.497 0.857 0.33 1 0.0
O9 O-2 0.335 0.675 0.457 1 0.0
Zn2 Zn+2 0.4284 0.376 0.2531 1 0.0
N1 N+5 0.136 0.16 0.048 1 0.0
N2 N+5 0.362 0.441 0.415 1 0.0
Zn1 Zn+2 0.0716 0.248 0.3281 1 0.0
O8 O-2 0.424 0.274 0.455 1 0.0
O1 O-2 0.162 0.828 0.303 1 0.0
O3 O-2 0.07 0.293 0.036 1 0.0
O4 O-2 0.191 0 0.134 1 0.0
O7 O-2 0.335 0.493 0.308 1 0.0
O6 O-2 0.348 0.966 0.143 1 0.0
O2 O-2 0.168 0.177 -0.021 1 0.0
