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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007019.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_1007019
_chemical_name_systematic
;
Nickel disodium tetrakis(dihydrogenphosphate) tetrahydrate
;
_chemical_formula_structural       'NA2 NI H8 (P O4)4 (H2 O)4'
_chemical_formula_sum              'H16 Na2 Ni O20 P4'
_publ_section_title
;
Structure cristalline d'un monophosphate acide mixte de nickel-sodium
tetrahydrate  Na~2~ Ni H~8~ (P O~4~)~4~ (H~2~ O)~4~
;
loop_
_publ_author_name
  'Boudjada, A'
  'Durif, A'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    34
_journal_year                      1978
_journal_page_first                17
_journal_page_last                 20
_cell_length_a                     11.10(2)
_cell_length_b                     10.71(2)
_cell_length_c                     7.224(5)
_cell_angle_alpha                  90
_cell_angle_beta                   100.2(1)
_cell_angle_gamma                  90
_cell_volume                       845.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ni2+   2.000
  Na1+   1.000
  P5+    5.000
  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
  Ni1   Ni2+   2 a 0. .00000(77) .00000(156) 1.  0 d
  Na1   Na1+   4 e 0.54066(11) 0.17130(11) 0.24618(16) 1.  0 d
  P1    P5+    4 e 0.08091(6) 0.26109(6) 0.26036(9) 1.  0 d
  P2    P5+    4 e 0.71749(6) 0.45432(6) 0.26068(9) 1.  0 d
  O1    O2-    4 e 0.49005(18) 0.82958(19) 0.10119(26) 1.  0 d
  O2    O2-    4 e 0.21145(17) 0.24645(18) 0.36102(26) 1.  0 d
  O3    O2-    4 e 0.48336(19) 0.64039(18) 0.30248(28) 1.  0 d
  O4    O2-    4 e 0.42365(20) 0.84738(19) 0.41696(27) 1.  0 d
  O5    O2-    4 e 0.63632(21) 0.53862(22) 0.10813(29) 1.  0 d
  O6    O2-    4 e 0.67346(18) 0.46914(19) 0.44572(26) 1.  0 d
  O7    O2-    4 e 0.80756(19) 0.81570(19) 0.30182(28) 1.  0 d
  O8    O2-    4 e 0.84924(17) 0.48506(18) 0.26184(29) 1.  0 d
  O9    O2-    4 e 0.14832(18) 0.56088(18) 0.24155(29) 1.  2 d
  O10   O2-    4 e 0.08227(17) 0.87216(18) 0.21549(27) 1.  2 d
  H1    H1+    4 e -1. -1. -1. 8.  0 dum
_refine_ls_R_factor_all            0.036
_cod_database_code 1007019