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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/80/1008019.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_1008019
_chemical_name_systematic
;
Ammonium cadmium sodium diphosphate trihydrate
;
_chemical_formula_structural       'CD (N H4) NA P2 O7 (H2 O)3'
_chemical_formula_sum            'Cd H10 N Na O10 P2'
_[local]_cod_chemical_formula_sum_orig 'H10 Cd N Na O10 P2'
_publ_section_title
;
Donnees cristallochimiques sur deux nouveaux diphosphates mixtes,  Ca N
H~4~ Na P~2~ O~7~ (H~2~ O)~3~  et  Cd N H~4~ Na P~2~ O~7~ (H~2~ O)~3~
et structure cristalline de  Cd N H~4~ Na P~2~ O~7~ (H~2~ O)~3~
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    33
_journal_year                      1977
_journal_page_first                3460
_journal_page_last                 3462
_cell_length_a                     10.211(9)
_cell_length_b                     16.56(1)
_cell_length_c                     5.632(3)
_cell_angle_alpha                  90
_cell_angle_beta                   103.73(1)
_cell_angle_gamma                  90
_cell_volume                       925.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 c 1'
_symmetry_Int_Tables_number        9
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cd2+   2.000
  P5+    5.000
  Na1+   1.000
  N3-   -3.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Cd1   Cd2+   4 a 0. 0.24383(50) 0. 1.  0 d
  P1    P5+    4 a 0.8125(4) 0.2108(2) 0.4243(7) 1.  0 d
  P2    P5+    4 a 0.7944(4) 0.6276(2) 0.1205(1) 1.  0 d
  Na1   Na1+   4 a -0.0394(5) 0.4428(3) 0.2097(9) 1.  0 d
  N1    N3-    4 a 0.1054(14) 0.0685(8) 0.5489(27) 1.  4 d
  O1    O2-    4 a 0.8421(10) 0.6942(6) -0.0575(17) 1.  0 d
  O2    O2-    4 a 0.8605(10) 0.8235(6) 0.1783(20) 1.  0 d
  O3    O2-    4 a 0.8927(10) 0.1789(6) 0.2499(18) 1.  0 d
  O4    O2-    4 a 0.1621(10) 0.2997(6) 0.8274(18) 1.  0 d
  O5    O2-    4 a 0.8688(12) 0.6466(6) 0.3793(19) 1.  0 d
  O6    O2-    4 a 0.6423(10) 0.6375(6) 0.0828(23) 1.  0 d
  O7    O2-    4 a 0.8288(11) 0.4513(6) 0.5218(19) 1.  0 d
  O8    O2-    4 a 0.8712(13) 0.0357(7) -0.0073(26) 1.  2 d
  O9    O2-    4 a 0.1181(13) 0.4619(7) 0.9465(23) 1.  2 d
  O10   O2-    4 a 0.1113(11) 0.3261(6) 0.3279(20) 1.  2 d
_refine_ls_R_factor_all            0.05
_cod_database_code 1008019
_journal_paper_doi 10.1107/S0567740877011194