#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001843.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_1001843
_chemical_name_systematic          'Sodium trineptunium(IV) fluoride'
_chemical_formula_structural       'Na Np3 F13'
_chemical_formula_sum              'F13 Na Np3'
_publ_section_title
;
Fluorure de neptunium et de sodium: Na Np3 F13
;
loop_
_publ_author_name
  'Cousson, A'
  'Abazli, H'
  'Pages, M'
  'Gasperin, M'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    39
_journal_year                      1983
_journal_page_first                318
_journal_page_last                 320
_cell_length_a                     8.022(5)
_cell_length_b                     8.022(5)
_cell_length_c                     16.51299(900)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       920.3
_cell_formula_units_Z              4
_exptl_crystal_density_meas        6.13
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Np4+   4.000
  Na1+   1.000
  F1-   -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+  12 k 0.1619(1) -0.1619(1) 0.1129(1) 1.  0 d
  Na1   Na1+   4 f 0.3333 0.6667 0.9104(19) 1.  0 d
  F1    F1-    6 h 0.1350(27) -0.1350(27) 0.25 1.  0 d
  F2    F1-   12 k 0.5385(23) -0.5385(23) 0.8358(10) 1.  0 d
  F3    F1-   12 i 0.3305(22) 0. 0. 1.  0 d
  F4    F1-    4 f 0.3333 0.6667 0.0571(20) 1.  0 d
  F5    F1-    4 e 0. 0. 0.0862(24) 1.  0 d
  F6    F1-   12 k 0.1680(31) -0.1680(31) 0.8521(9) 1.  0 d
  F7    F1-    2 d 0.3333 0.6667 0.75 1.  0 d
_refine_ls_R_factor_all            0.066