#------------------------------------------------------------------------------
#$Date: 2011-01-02 20:00:31 +0000 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012143.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_2012143
loop_
_publ_author_name
'Figgis, Brian N.'
'Sobolev, Alexandre N.'
_publ_section_title
;
Na~3~Co(NO~2~)~6~ at 293 and  10 K
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              885
_journal_page_last               886
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'Na3 Co(NO2 )6 '
_chemical_formula_sum            'Co N6 Na3 O12'
_chemical_formula_weight         403.96
_chemical_name_common            'sodum cobaltinitrite'
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   7.7724(4)
_cell_length_b                   7.7724(4)
_cell_length_c                   14.763(2)
_cell_measurement_temperature    10.5(5)
_cell_volume                     772.40(10)
_diffrn_ambient_temperature      10.5(5)
_exptl_crystal_density_diffrn    2.606
_[local]_cod_cif_authors_sg_H-M  'R -3'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' 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               2012143
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Co .0000 .0000 .0000 .00511(3) Uani d S 1 . . Co
Na1 .0000 .0000 .26420(3) .01020(6) Uani d S 1 . . Na
Na2 .3333 -.3333 .1667 .01068(9) Uani d S 1 . . Na
N .11241(10) -.13232(10) .07273(3) .00757(6) Uani d . 1 . . N
O1 .08919(8) -.15443(8) .15537(3) .01086(7) Uani d . 1 . . O
O2 .20588(12) -.20117(12) .03362(3) .01024(6) Uani d . 1 . . O
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
Co .00537(4) .00537(4) .00460(5) .00269(2) .000 .000
Na1 .01132(9) .01132(9) .00794(13) .00566(5) .000 .000
Na2 .01201(13) .01201(13) .00802(19) .00601(7) .000 .000
N .00850(17) .00829(16) .00685(11) .00489(13) -.00007(12) .00009(11)
O1 .01444(16) .01370(16) .00683(12) .00882(14) .00079(10) .00151(11)
O2 .01193(19) .01216(18) .01019(12) .00868(11) .00009(17) -.00136(17)
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
Co N . 1.9679(4) no
Co N 2 1.9679(4) no
Co N 3 1.9679(4) no
Co N 10 1.9679(4) no
Co N 11 1.9679(4) no
Co N 12 1.9679(4) no
N O1 . 1.2326(7) no
N O2 . 1.2395(6) no
Na1 O1 . 2.3098(6) no
Na1 O1 2 2.3098(6) no
Na1 O1 3 2.3098(6) no
Na1 O2 6 2.3141(5) no
Na1 O2 4_455 2.3141(5) no
Na1 O2 5_445 2.3141(5) no
Na1 Na2 4_455 3.4811(7) no
Na2 O1 . 2.8637(5) no
Na2 O1 14 2.8637(5) no
Na2 O1 2_545 2.8637(5) no
Na2 O1 3_655 2.8637(5) no
Na2 O1 13_545 2.8637(5) no
Na2 O1 15_445 2.8637(5) no
Na2 O2 . 2.6291(5) no
Na2 O2 14 2.6291(5) no
Na2 O2 2_545 2.6291(5) no
Na2 O2 3_655 2.6291(5) no
Na2 O2 13_545 2.6291(5) no
Na2 O2 15_445 2.6291(5) no
O2 Na1 7_544 2.3142(5) no