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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001329.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_1001329
_chemical_name_systematic          'Cobalt neptunium(IV) fluoride trihydrate'
_chemical_formula_structural       'Co Np F6 (H2 O)3'
_chemical_formula_sum              'H6 Co F6 Np O3'
_publ_section_title
;
Les composes Co Np F~6~ (H~2~ O)~3~ et Co U F~6~ (H~2~ O)~3~. Etude
structurale, mesur des susceptibilites magnetiques et resonance
Moessbauer (^237^Np)
;
loop_
_publ_author_name
  'Abazli, H'
  'Cousson, A'
  'Jove, J'
  'Pages, M'
  'Gasperin, M'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_coden_ASTM                JCOMAH
_journal_volume                    96
_journal_year                      1984
_journal_page_first                23
_journal_page_last                 33
_cell_length_a                     12.119(4)
_cell_length_b                     6.908(3)
_cell_length_c                     7.928(3)
_cell_angle_alpha                  90
_cell_angle_beta                   92.84
_cell_angle_gamma                  90
_cell_volume                       662.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2 1'
_symmetry_Int_Tables_number        5
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Np4+   4.000
  Co2+   2.000
  F1-   -1.000
  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
  Np1   Np4+   2 a 0. 0. 0. 1.  0 d
  Np2   Np4+   2 b 0. 0.0373(1) 0.5 1.  0 d
  Co1   Co2+   4 c 0.2497(4) 0.2691(7) 0.2476(6) 1.  0 d
  F1    F1-    4 c 0.0611(6) 0.1623(11) 0.7517(10) 1.  0 d
  F2    F1-    4 c 0.1677(12) 0.1641(18) 0.4457(16) 1.  0 d
  F3    F1-    4 c 0.1253(6) 0.2327(16) 0.0833(11) 1.  0 d
  F4    F1-    4 c 0.3868(5) 0.3071(15) 0.4109(13) 1.  0 d
  F5    F1-    4 c 0.3313(13) 0.3715(22) 0.0505(18) 1.  0 d
  F6    F1-    4 c 0.5745(6) 0.3930(12) 0.262(1) 1.  0 d
  O1    O2-    4 c 0.1843(9) 0.4857(9) 0.8098(13) 1.  2 d
  O2    O2-    4 c 0.3184(8) 0.0289(9) 0.6844(13) 1.  2 d
  O3    O2-    2 b 0. 0.3962(16) 0.5 1.  2 d
  O4    O2-    2 b 0. 0.6229(20) 0. 1.  2 d
  H1    H1+    4 c -1. -1. -1. 6.  0 dum
_refine_ls_R_factor_all            0.03