#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1004106.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_1004106
_chemical_name_systematic          'Dibarium nickel bis(phosphate(V))'
_chemical_formula_structural       'Ba2 Ni (P O4)2'
_chemical_formula_sum              'Ba2 Ni O8 P2'
_publ_section_title
;
Crystal structure and magnetic properties of Ba2 Ni (P O4)2
;
loop_
_publ_author_name
  'Elbali, B'
  'Boukhari, A'
  'Aride, J'
  'Belaiche, M'
  'Abraham, F'
  'Drillon, M'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    31
_journal_year                      1994
_journal_page_first                61
_journal_page_last                 73
_cell_length_a                     5.312(1)
_cell_length_b                     8.789(2)
_cell_length_c                     16.06699(300)
_cell_angle_alpha                  90
_cell_angle_beta                   90.72(1)
_cell_angle_gamma                  90
_cell_volume                       750.1
_cell_formula_units_Z              4
_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
  Ba2+   2.000
  Ni2+   2.000
  P5+    5.000
  O2-   -2.000
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
  Ba1   Ba2+   4 e 0.29724(6) 0.29690(4) 0.98135(2) 1.  0 d
  Ba2   Ba2+   4 e 0.74252(6) 0.84645(4) 0.27012(2) 1.  0 d
  Ni1   Ni2+   4 e 0.27354(12) 0.48772(8) 0.36654(4) 1.  0 d
  P1    P5+    4 e 0.73237(24) 0.58609(15) 0.42170(8) 1.  0 d
  P2    P5+    4 e 0.24961(25) 0.61141(15) 0.16666(8) 1.  0 d
  O1    O2-    4 e 0.7889(9) 0.5847(6) 0.5148(3) 1.  0 d
  O2    O2-    4 e 0.5163(8) 0.6968(5) 0.4003(3) 1.  0 d
  O3    O2-    4 e 0.6453(7) 0.4302(5) 0.3875(3) 1.  0 d
  O4    O2-    4 e 0.9709(7) 0.6348(5) 0.3737(3) 1.  0 d
  O5    O2-    4 e 0.3518(10) 0.5274(6) 0.0907(3) 1.  0 d
  O6    O2-    4 e 0.3588(8) 0.7751(5) 0.1666(3) 1.  0 d
  O7    O2-    4 e -0.0399(8) 0.6122(5) 0.1655(3) 1.  0 d
  O8    O2-    4 e 0.3525(9) 0.5306(6) 0.2449(3) 1.  0 d
_refine_ls_R_factor_all            0.031