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#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$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_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
Ca1 0.32770 0.41020 0.36700
N1 0.07260 0.37160 0.16840
N2 0.48000 0.73340 0.40530
O1 0.06010 0.48440 0.21710
O2 0.18970 0.26860 0.21210
O3 -0.02370 0.36550 0.08460
O4 0.54180 0.62100 0.45850
O5 0.55070 0.85440 0.43420
O6 0.35090 0.71170 0.32690
O7 0.60050 0.46340 0.28130
O8 0.03650 0.53680 0.41610
O9 0.08080 0.22050 0.39840
O10 0.57880 0.19660 0.38590