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#$Date: 2016-11-10 14:31:18 +0200 (Thu, 10 Nov 2016) $
#$Revision: 188372 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/54/9015487.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9015487
loop_
_publ_author_name
'Leclaire, A.'
'Monier, J.'
_publ_section_title
;
 Structure cristalline du nitrate de calcium tetrahydrate
 _cod_database_code 1001743
;
_journal_name_full
'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'
_journal_page_first              1555
_journal_page_last               1557
_journal_volume                  271
_journal_year                    1970
_chemical_formula_sum            'Ca N2 O10'
_chemical_name_mineral           Nitrocalcite
_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                 106.50
_cell_angle_gamma                90
_cell_length_a                   6.268
_cell_length_b                   9.116
_cell_length_c                   14.83
_cell_volume                     812.478
_database_code_amcsd             0012286
_exptl_crystal_density_diffrn    1.865
_cod_duplicate_entry             1001743
_cod_database_code               9015487
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Ca1 0.32770 0.41020 0.36700 0
N1 0.07260 0.37160 0.16840 0
N2 0.48000 0.73340 0.40530 0
O1 0.06010 0.48440 0.21710 0
O2 0.18970 0.26860 0.21210 0
O3 -0.02370 0.36550 0.08460 0
O4 0.54180 0.62100 0.45850 0
O5 0.55070 0.85440 0.43420 0
O6 0.35090 0.71170 0.32690 0
O7 0.60050 0.46340 0.28130 2
O8 0.03650 0.53680 0.41610 2
O9 0.08080 0.22050 0.39840 2
O10 0.57880 0.19660 0.38590 2