#------------------------------------------------------------------------------
#$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277834 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/03/2010336.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
loop_
_publ_author_name
'Mercier, Nicolas'
'Leblanc, Marc'
_publ_section_title
;
 A new rare earth fluorocarbonate, Na₂Eu(CO₃)F₃
;
_journal_coden_ASTM              CSCEE
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1864
_journal_page_last               1865
_journal_paper_doi               10.1107/s010827019400733x
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Na2 Eu (C O3) F3'
_chemical_formula_sum            'C Eu F3 Na2 O3'
_chemical_formula_weight         314.94
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   6.596(4)
_cell_length_b                   10.774(4)
_cell_length_c                   14.090(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1001.3(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.178
_refine_ls_R_factor_obs          0.0177
_refine_ls_wR_factor_obs         0.0451
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-03-18

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2010336
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'
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_
_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) ?
