#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010336.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_2010336
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1864
_journal_page_last  1865
_publ_section_title
;
 A New Rare-Earth Fluorocarbonate, Na~2~Eu(CO~3~)F~3~
;
loop_
_publ_author_name
  'N. Mercier'
  'Marc Leblanc'
_chemical_formula_moiety  'Na2 Eu (C O3) F3'
_chemical_formula_sum  'C Eu F3 Na2 O3'
_chemical_formula_weight  314.94
_symmetry_cell_setting  Orthorhombic
_symmetry_space_group_name_H-M  'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  '-x, y+1/2, -z+1/2'
  'x+1/2, -y+1/2, -z'
  '-x, -y, -z'
  'x-1/2, y, -z-1/2'
  'x, -y-1/2, z-1/2'
  '-x-1/2, y-1/2, z'
_cell_length_a  6.596(4)
_cell_length_b  10.774(4)
_cell_length_c  14.090(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1001.3(10)
_cell_formula_units_Z  8
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  4.178
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  0.0177
_refine_ls_wR_factor_obs  0.0451
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Eu -0.00608(2) 0.183349(12) 0.014476(9) 0.00726(5) Uani d . 1 . Eu
  Na1 0.2439(2) 0.27913(13) 0.25571(10) 0.0169(2) Uani d . 1 . Na
  Na2 -0.0541(3) 0.00972(14) 0.39257(11) 0.0190(3) Uani d . 1 . Na
  C 0.0008(4) 0.5157(3) 0.3229(2) 0.0104(4) Uani d . 1 . C
  OX1 0.0059(4) 0.4363(2) 0.2575(2) 0.0152(4) Uani d . 1 . O
  OX2 0.4449(4) 0.1291(2) 0.3127(2) 0.0187(5) Uani d . 1 . O
  OX3 -0.0693(4) 0.4864(2) 0.4076(2) 0.0115(4) Uani d . 1 . O
  F1 0.3011(3) 0.2184(2) 0.10300(14) 0.0129(3) Uani d . 1 . F
  F2 0.2904(3) 0.3381(2) 0.41870(14) 0.0141(4) Uani d . 1 . F
  F3 0.1491(3) 0.1236(2) 0.48054(15) 0.0136(3) Uani d . 1 . F
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Eu 0.00692(7) 0.00651(7) 0.00835(7) 0.00018(4) 0.00008(4) 0.00010(4)
  Na1 0.0185(6) 0.0170(5) 0.0152(6) 0.0061(5) -0.0014(5) 0.0000(6)
  Na2 0.0207(7) 0.0194(7) 0.0168(6) -0.0035(5) -0.0021(5) -0.0042(6)
  C 0.0108(10) 0.0103(10) 0.0101(10) 0.0004(10) -0.0002(8) -0.0001(8)
  OX1 0.0203(10) 0.0141(9) 0.0112(9) 0.0021(8) -0.0004(8) -0.0031(8)
  OX2 0.0247(12) 0.0130(10) 0.0182(11) 0.0076(9) -0.0062(9) 0.0008(9)
  OX3 0.0151(9) 0.0099(8) 0.0095(8) 0.0006(7) 0.0020(7) 0.0005(7)
  F1 0.0126(7) 0.0153(8) 0.0109(8) -0.0019(6) 0.0002(6) 0.0012(7)
  F2 0.0153(8) 0.0144(8) 0.0127(9) 0.0034(6) 0.0022(6) 0.0045(7)
  F3 0.0108(7) 0.0104(8) 0.0196(9) -0.0004(6) -0.0019(7) -0.0020(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Eu F2 6_556 2.339(2) yes
  Eu F1 4_455 2.341(2) yes
  Eu F3 6_556 2.365(2) yes
  Eu F3 7_565 2.367(2) yes
  Eu F2 7_565 2.387(2) yes
  Eu OX3 7_565 2.405(2) yes
  Eu F1 . 2.409(2) yes
  Eu OX3 3_545 2.440(2) yes
  Eu OX2 6_556 2.525(3) yes
  Na1 OX2 . 2.239(3) yes
  Na1 F1 . 2.281(3) yes
  Na1 OX1 . 2.309(3) yes
  Na1 F2 . 2.403(3) yes
  Na1 OX1 6_656 2.426(3) yes
  Na1 OX2 6_556 2.726(3) yes
  Na2 F3 . 2.200(3) yes
  Na2 OX1 3_545 2.280(3) yes
  Na2 F3 5_556 2.377(3) yes
  Na2 F1 6_556 2.443(3) yes
  Na2 OX3 8 2.506(3) yes
  Na2 F2 8_655 2.565(3) yes
  C1 OX1 . 1.258(3) yes
  C1 OX2 8_665 1.281(4) yes
  C1 OX3 . 1.318(4) yes
  OX1 OX3 . 2.238(3) ?
  OX1 OX2 8_665 2.242(3) ?
  OX1 Na2 3 2.280(3) ?
  OX1 Na1 6_556 2.426(3) ?
  OX2 C1 8_655 1.281(4) ?
  OX2 OX3 8_655 2.197(3) ?
  OX2 OX1 8_655 2.242(3) ?
  OX2 Eu 6_656 2.525(3) ?
  OX2 Na1 6_656 2.726(3) ?
  OX3 OX2 8_665 2.197(3) ?
  OX3 Eu 7_566 2.405(2) ?
  OX3 Eu 3 2.440(2) ?
  OX3 Na2 8_565 2.506(3) ?
  F1 Eu 4 2.341(2) ?
  F1 Na2 6_656 2.443(3) ?
  F1 F3 7_565 2.623(3) ?
  F1 F2 7_565 2.668(3) ?
  F1 F3 6_656 2.774(3) ?
  F1 OX2 6_556 2.803(3) ?
  F1 OX3 3_545 2.934(3) ?
  F1 OX3 6_656 3.016(3) ?
  F2 Eu 6_656 2.339(2) ?
  F2 Eu 7_566 2.387(2) ?
  F2 Na2 8_665 2.565(3) ?
  F2 F3 . 2.640(3) ?
  F2 F1 7_566 2.668(3) ?
  F2 F3 4_556 2.790(3) ?
  F2 OX1 6_656 3.050(3) ?
  F3 Eu 6_656 2.365(2) ?
  F3 Eu 7_566 2.367(2) ?
  F3 Na2 5_556 2.377(3) ?
  F3 F1 7_566 2.623(3) ?
  F3 OX3 4_556 2.709(3) ?
  F3 F1 6_556 2.774(3) ?
  F3 F2 4_456 2.790(3) ?