#------------------------------------------------------------------------------
#$Date: 2012-02-28 13:14:52 +0100 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/12/1001226.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_1001226
_chemical_name_systematic          'SODIUM IRON TRINEPTUNIUM(IV) FLUORIDE'
_chemical_formula_structural       'NA FE NP3 F15'
_chemical_formula_sum              'F15 Fe Na Np3'
_publ_section_title                'Structure de Na Fe Np~3~ F~15~'
loop_
_publ_author_name
  'Cousson, A'
  'Abazli, H'
  'Pages, M'
  'Gasperin, M'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    38
_journal_year                      1982
_journal_page_first                2668
_journal_page_last                 2670
_cell_length_a                     9.802
_cell_length_b                     9.802
_cell_length_c                     13.004
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       1082.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P -3 c 1'
_symmetry_Int_Tables_number        165
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,1/2+z'
  'x,x-y,1/2+z'
  'y-x,y,1/2+z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,1/2-z'
  '-x,y-x,1/2-z'
  'x-y,-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Np4+   4.000
  F1-   -1.000
  Fe2+   2.000
  Na1+   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 g 0.39964(4) 0.07624(3) 0.10161(3) 1.  0 d
  F1    F1-   12 g 0.1194(6) 0.3120(7) 0.0192(4) 1.  0 d
  F2    F1-   12 g 0.4143(6) 0.5330(7) 0.0524(3) 1.  0 d
  F3    F1-   12 g 0.6593(6) 0.1691(8) 0.1366(5) 1.  0 d
  F4    F1-   12 g 0.1931(7) 0.0853(8) 0.1591(4) 1.  0 d
  F5    F1-   12 g 0.1313(7) 0.4425(8) 0.2169(4) 1.  0 d
  Fe1   Fe2+   2 a 0. 0. 0.25 1.  0 d
  Na1   Na1+   2 b 0. 0. 0. 1.  0 d
  Na2   Na1+   4 d 0.3333 0.6667 0.1534(2) 0.5  0 d
  Fe2   Fe2+   4 d 0.3333 0.6667 0.1534(2) 0.5  0 d
_refine_ls_R_factor_all            0.042
_cod_database_code 1001226