#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/10/1001038.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_1001038
_chemical_name_systematic          'Disodium uranium fluoride - $-delta'
_chemical_formula_structural       'Na2 U F6'
_chemical_formula_sum              'F6 Na2 U'
_publ_section_title                'Disodium uranium(IV) fluoride'
loop_
_publ_author_name
  'Cousson, A'
  'Tabuteau, A'
  'Pages, M'
  'Gasperin, M'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    35
_journal_year                      1979
_journal_page_first                1198
_journal_page_last                 1200
_cell_length_a                     6.112(2)
_cell_length_b                     6.112(2)
_cell_length_c                     7.240(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       234.2
_cell_formula_units_Z              2
_exptl_crystal_density_meas        5.64
_symmetry_space_group_name_H-M     'P 3'
_symmetry_Int_Tables_number        143
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U4+    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
  U1    U4+    1 b 0.3333 0.6666 0.8579 1.  0 d
  U2    U4+    1 c 0.6666 0.3333 0.1394(1) 1.  0 d
  Na1   Na1+   1 a 0. 0. 0.0313(26) 1.  0 d
  Na2   Na1+   1 a 0. 0. 0.5111(41) 1.  0 d
  Na3   Na1+   1 b 0.3333 0.6667 0.4141(19) 1.  0 d
  Na4   Na1+   1 c 0.6667 0.3333 0.6213(19) 1.  0 d
  F1    F1-    3 d 0.3166(22) 0.9191(21) 0.1083(15) 1.  0 d
  F2    F1-    3 d 0.7157(24) 0.0911(24) 0.3459(16) 1.  0 d
  F3    F1-    3 d 0.0924(34) 0.3946(34) 0.6354(25) 1.  0 d
  F4    F1-    3 d 0.6991(35) 0.0800(33) 0.9029(23) 1.  0 d
_refine_ls_R_factor_all            0.098
_cod_database_code 1001038
_journal_paper_doi 10.1107/S0567740879005872