#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/14/1001410.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_1001410
_chemical_name_systematic
;
Sodium calcium uranium oxide (8/3.1/3.7/17.5)
;
_chemical_formula_structural       'Na8 Ca3.11 U3.7 O17.52'
_chemical_formula_sum              'Ca3.11 Na8 O17.52 U3.7'
_publ_section_title
;
Structure d'un Oxyde d'Uranium a Valence Mixte et Etude par
Spectroscopie Mossbauer (^237^Np) d'un Oxyde Isotype de
Neptunium
;
loop_
_publ_author_name
  'Gasperin, M'
  'Cousson, A'
  'He, L'
  'Jove, J'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_coden_ASTM                JCOMAH
_journal_volume                    152
_journal_year                      1989
_journal_page_first                339
_journal_page_last                 348
_cell_length_a                     8.258(5)
_cell_length_b                     8.271(5)
_cell_length_c                     8.250(5)
_cell_angle_alpha                  90
_cell_angle_beta                   91.78
_cell_angle_gamma                  90
_cell_volume                       563.2
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U6+    5.640
  Ca2+   2.000
  Na1+   1.000
  O2-   -2.000
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    U6+    2 d 0.5 0. 0. 1.  0 d
  U2    U6+    2 b 0.5 0.5 0. 0.4  0 d
  U3    U6+    2 a 0. 0. 0. 0.222  0 d
  Ca1   Ca2+   2 a 0. 0. 0. 0.778  0 d
  U4    U6+    2 c 0. 0.5 0. 0.222  0 d
  Ca2   Ca2+   2 c 0. 0.5 0. 0.778  0 d
  Na1   Na1+   4 e 0.2284(9) 0.2402(13) 0.2652(9) 1.  0 d
  Na2   Na1+   4 e 0.2697(7) 0.7446(10) 0.7206(8) 1.  0 d
  O1    O2-    4 e 0.2685(20) 0.0543(18) 0.0485(18) 0.73  0 d
  O2    O2-    4 e 0.4476(24) 0.0546(21) 0.7612(20) 0.73  0 d
  O3    O2-    4 e 0.0684(20) 0.2576(16) 0.5386(16) 0.73  0 d
  O4    O2-    4 e 0.4705(16) 0.2493(30) 0.4335(17) 0.73  0 d
  O5    O2-    4 e 0.9461(21) 0.0521(21) 0.2598(22) 0.73  0 d
  O6    O2-    4 e 0.7661(20) 0.0560(19) 0.5540(22) 0.73  0 d
_refine_ls_R_factor_all            0.06
_cod_database_code 1001410