#------------------------------------------------------------------------------
#$Date: 2018-07-07 04:59:37 +0300 (Sat, 07 Jul 2018) $
#$Revision: 208902 $
#$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
loop_
_publ_author_name
'Mercier, N'
'Leblanc, M'
_publ_section_title
;
A new rare earth fluorocarbonate, Na₂Eu(CO₃)F₃
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1864
_journal_page_last               1865
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     'Na2 Eu (C O3) F3'
_chemical_formula_sum            'C Eu F3 Na2 O3'
_chemical_name_systematic        'Disodium europium carbonate trifluoride'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.596(4)
_cell_length_b                   10.774(4)
_cell_length_c                   14.09(1)
_cell_volume                     1001.3
_refine_ls_R_factor_all          0.018
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'C Eu F3 Na2 O3'
 to 'C Eu F3 Na2 O3'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1000362
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_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_type_symbol
_atom_type_oxidation_number
Eu3+ 3.000
Na1+ 1.000
C4+ 4.000
O2- -2.000
F1- -1.000
