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#$Date: 2016-11-14 04:23:27 +0200 (Mon, 14 Nov 2016) $
#$Revision: 188423 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/45/9014539.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_9014539
loop_
_publ_author_name
'Averbuch-Pouchot M'
'Guitel, J.'
_publ_section_title
;
 Donnees cristallochimiques sur deux nouveaux diphosphates mixtes,
 Ca NH4 Na P2O7 (H2O)3 et Cd NH4 Na P2O7 (H2O)3
 et structure cristalline de Cd NH4 Na P2O7 (H2O)3
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3460
_journal_page_last               3462
_journal_paper_doi               10.1107/S0567740877011194
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Cd N Na O10 P2'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.73
_cell_angle_gamma                90
_cell_length_a                   10.211
_cell_length_b                   16.56
_cell_length_c                   5.632
_cell_volume                     925.125
_database_code_amcsd             0015967
_exptl_crystal_density_diffrn    2.666
_cod_duplicate_entry             1008019
_cod_original_formula_sum        'Cd P2 Na N O10'
_cod_database_code               9014539
_amcsd_formula_title             'Cd H10 N Na O10 P2'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cd1 0.00000 0.24383 0.00000
P1 0.81250 0.21080 0.42430
P2 0.79440 0.62760 0.12050
Na1 -0.03940 0.44280 0.20970
N1 0.10540 0.06850 0.54890
O1 0.84210 0.69420 -0.05750
O2 0.86050 0.82350 0.17830
O3 0.89270 0.17890 0.24990
O4 0.16210 0.29970 0.82740
O5 0.86880 0.64660 0.37930
O6 0.64230 0.63750 0.08280
O7 0.82880 0.45130 0.52180
O8 0.87120 0.03570 -0.00730
O9 0.11810 0.46190 0.94650
O10 0.11130 0.32610 0.32790