#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/03/1000362.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_1000362
_chemical_name_systematic          'Disodium europium carbonate trifluoride'
_chemical_formula_structural       'Na2 Eu (C O3) F3'
_chemical_formula_sum              'Eu F3 Na2 O3'
_publ_section_title
;
A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~
;
loop_
_publ_author_name
  'Mercier, N'
  'Leblanc, M'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    50
_journal_year                      1994
_journal_page_first                1864
_journal_page_last                 1865
_cell_length_a                     6.596(4)
_cell_length_b                     10.774(4)
_cell_length_c                     14.09(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1001.3
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P b c a'
_symmetry_Int_Tables_number        61
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Eu3+   3.000
  Na1+   1.000
  C4+    4.000
  O2-   -2.000
  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
  Eu1   Eu3+   8 c 0.99392(2) 0.183350(12) 0.014480(9) 1.  0 d
  Na1   Na1+   8 c 0.2439(2) 0.27913(13) 0.25571(10) 1.  0 d
  Na2   Na1+   8 c -0.0541(3) 0.00972(14) 0.39257(11) 1.  0 d
  C1    C4+    8 c 0.0008(4) 0.5157(3) 0.3229(2) 1.  0 d
  O1    O2-    8 c 0.0059(4) 0.4363(2) 0.2575(2) 1.  0 d
  O2    O2-    8 c 0.4449(4) 0.1291(2) 0.3127(2) 1.  0 d
  O3    O2-    8 c -0.0693(4) 0.4864(2) 0.4076(2) 1.  0 d
  F1    F1-    8 c 0.3011(3) 0.2184(2) 0.10300(14) 1.  0 d
  F2    F1-    8 c 0.2904(3) 0.3381(2) 0.41870(14) 1.  0 d
  F3    F1-    8 c 0.1491(3) 0.1236(2) 0.48054(15) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Eu1   0.00692(7) 0.00018(4) 0.00008(4) 0.00651(7) 0.00010(4) 0.00835(7)
  Na1   0.0185(6) 0.0061(5) -0.0014(5) 0.0170(5) .0000(6) 0.0152(6)
  Na2   0.0207(7) -0.0035(5) -0.0021(5) 0.0194(7) -0.0042(6) 0.0168(6)
  C1    0.0108(10) 0.0004(10) -0.0002(8) 0.0103(10) -0.0001(8) 0.0101(10)
  O1    0.0203(10) 0.0021(8) -0.0004(8) 0.0141(9) -0.0031(8) 0.0112(9)
  O2    0.0247(12) 0.0076(9) -0.0062(9) 0.013(1) 0.0008(9) 0.0182(11)
  O3    0.0151(9) 0.0006(7) 0.0020(7) 0.0099(8) 0.0005(7) 0.0095(8)
  F1    0.0126(7) -0.0019(6) 0.0002(6) 0.0153(8) 0.0012(7) 0.0109(8)
  F2    0.0153(8) 0.0034(6) 0.0022(6) 0.0144(8) 0.0045(7) 0.0127(9)
  F3    0.0108(7) -0.0004(6) -0.0019(7) 0.0104(8) -0.0020(7) 0.0196(9)
_refine_ls_R_factor_all            0.018
_cod_database_code 1000362