#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1100130.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_1100130
_chemical_name_systematic
;
Pentasodium Ytterbium Tetracarbonate Dihydrate
;
_chemical_formula_structural       'Na5 Yb (C O3)4 (H2 O)2'
_chemical_formula_sum            'C4 H4 Na5 O14 Yb'
_[local]_cod_chemical_formula_sum_orig 'C4 H4 Na5 O14 Yb1'
_publ_section_title
;
Microwave-assisted synthesis, crystal structures and thermal
behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O)
;
loop_
_citation_journal_id_ASTM
primary 'Journal of Alloys Compd.' 2003 349 114 120 JALCEU
loop_
_publ_author_name
'Awaleh, M.O.'
'Ben Ali, A.'
'Maisonneuve, V.'
'Leblanc, M.'
_cell_length_a                     7.593(2)
_cell_length_b                     7.593(2)
_cell_length_c                     11.528(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       664.63
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -4 21 c'
_symmetry_Int_Tables_number        114
_refine_ls_R_factor_all            0.023
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'y+1/2, x+1/2, z+1/2'
  2	'y, -x, -z'
  3	'-y+1/2, -x+1/2, z+1/2'
  4	'-y, x, -z'
  5	'x+1/2, -y+1/2, -z+1/2'
  6	'-x, -y, z'
  7	'-x+1/2, y+1/2, -z+1/2'
  8	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
C4+   	4
H1+   	1
Na1+  	1
O2-   	-2
Yb3+  	3
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_B_iso_or_equiv
Yb1 Yb3+ 2 a 0. 0. 0. 1. 0 1.060(7)
Na1 Na1+ 2 b 0.5 0.5 0. 1. 0 2.18(5)
Na2 Na1+ 8 e 0.3230(2) 0.1815(2) 0.2075(1) 1. 0 1.92(2)
C1 C4+ 8 e 0.1824(4) 0.2861(3) -0.0795(2) 1. 0 1.39(3)
O1 O2- 8 e 0.0954(3) 0.1796(3) 0.8525(2) 1. 0 1.46(3)
O2 O2- 8 e 0.1702(3) 0.2527(3) 0.0315(2) 1. 0 1.61(3)
O3 O2- 8 e 0.2745(3) 0.4092(3) 0.8803(2) 1. 0 2.29(4)
O4 O2- 4 d 0. 0.5 0.1673(3) 1. 2 2.03(4)
H1 H1+ 8 e 0.056(8) 0.438(8) 0.115(4) 1. 0 2.03(4)