#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2300038.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_2300038
_journal_name_full  'Journal of Applied Crystallography'
_journal_year  2003
_journal_volume  36
_journal_page_first  1361
_journal_page_last  1367
_chemical_formula_sum  "Ni3 O8 P2"
_chemical_formula_weight  366.07
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 +x,+y,+z
  2 -x,+y+1/2,-z+1/2
  -1 -x,-y,-z
  -2 +x,-y+1/2,+z+1/2
_cell_length_a  5.83104(15)
_cell_length_b  4.69778(13)
_cell_length_c  10.1098(3)
_cell_angle_alpha  90.0
_cell_angle_beta  91.1288(16)
_cell_angle_gamma  90.0
_cell_volume  276.88376
_cell_formula_units_Z  2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
  NI1 0.5 0.0 0.0 0.01862 Uani 1.0 NI
  NI2 0.2382(4) -0.0133(7) 0.2749(3)  0.01382 Uani 1.0 NI
  P3 0.2396(9) 0.4232(10) 0.0945(5) 0.0154(17) Uiso 1.0 P
  O4 0.2464(18) 0.7483(11) 0.0971(11) 0.0089(16) Uiso 1.0 O
  O5 0.2403(19) 0.1996(19) 0.4541(6) 0.0089(16) Uiso 1.0 O
  O6 0.0410(13) 0.296(2)  0.1715(9) 0.0089(16) Uiso 1.0 O
  O7 0.4489(13) 0.2705(19) 0.1538(10) 0.0089(16) Uiso 1.0 O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  NI1 0.041(4) 0.007(3)  0.009(3)  0.006(4) 0.006(3)  0.006(3)
  NI2 0.008(2)  0.018(3)  0.016(3)  -0.006(2)  0.0009(16) -0.006(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  NI1 P3 . 1_555 2.689(5) N
  NI1 P3 . -1_655 2.689(5) N
  NI1 O4 . 1_545 2.146(9) N
  NI1 O4 . -1_665 2.146(9) N
  NI1 O5 . 2_645 2.115(10) N
  NI1 O5 . -2_565 2.115(10) N
  NI1 O7 . 1_555 2.034(10) N
  NI1 O7 . -1_655 2.034(10) N
  NI2 P3 . 1_555 2.744(5) N
  NI2 O4 . 1_545 2.119(10) N
  NI2 O5 . 1_555 2.069(8) N
  NI2 O6 . 1_555 2.116(10) N
  NI2 O6 . 2_545 1.945(9) N
  NI2 O7 . 1_555 2.201(10) N
  NI2 O7 . 2_645 2.197(9) N
  P3 NI1 . 1_555 2.689(5) N
  P3 NI2 . 1_555 2.744(5) N
  P3 O4 . 1_555 1.528(3)  N
  P3 O5 . -2_565 1.532(3)  N
  P3 O6 . 1_555 1.530(3)  N
  P3 O7 . 1_555 1.528(3)  N
  O4 NI1 . 1_565 2.146(9) N
  O4 NI2 . 1_565 2.119(10) N
  O4 P3 . 1_555 1.528(3)  N
  O5 NI1 . 2_655 2.115(10) N
  O5 NI2 . 1_555 2.069(8) N
  O5 P3 . -2_566 1.532(3)  N
  O6 NI2 . 1_555 2.116(10) N
  O6 NI2 . 2_555 1.945(9) N
  O6 P3 . 1_555 1.530(3)  N
  O7 NI1 . 1_555 2.034(10) N
  O7 NI2 . 1_555 2.201(10) N
  O7 NI2 . 2_655 2.197(9) N
  O7 P3 . 1_555 1.528(3)  N