#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012142.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_2012142
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  885
_journal_page_last  886
_publ_section_title
;
Na~3~Co(NO~2~)~6~ at 293 and  10 K
;
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_[local]_cod_cif_authors_sg_H-M  'R -3'
loop_
_publ_author_name
  'Figgis, Brian N.'
  'Sobolev, Alexandre N.'
_chemical_name_common  'sodum cobaltinitrite'
_chemical_formula_sum  'Co N6 Na3 O12'
_chemical_formula_iupac  'Na3 Co(NO2 )6 '
_chemical_formula_weight  403.96
_symmetry_cell_setting  Trigonal
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'
_cell_length_a  7.8060(10)
_cell_length_b  7.8060(10)
_cell_length_c  14.867(2)
_cell_angle_alpha  90.0
_cell_angle_beta  90.0
_cell_angle_gamma  120.0
_cell_volume  784.5(2)
_cell_formula_units_Z  3
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.565
_diffrn_ambient_temperature  293(2)
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  .01297(15) Uani d S 1 . . Co
  Na1  .0000  .0000  .26365(7)  .0293(2) Uani d S 1 . . Na
  Na2  .3333  -.3333  .1667  .0294(3) Uani d S 1 . . Na
  N  .1144(4)  -.1292(4)  .07212(8)  .0186(3) Uani d . 1 . . N
  O1  .0984(3)  -.1450(3)  .15415(9)  .0333(5) Uani d . 1 . . O
  O2  .2034(4)  -.2021(4)  .03344(8)  .0308(3) 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  .01245(17)  .01245(17)  .0140(2)  .00622(8)  .000  .000
  Na1  .0336(4)  .0336(4)  .0206(5)  .01682(18)  .000  .000
  Na2  .0333(5)  .0333(5)  .0217(7)  .0166(2)  .000  .000
  N  .0199(9)  .0175(9)  .0202(5)  .0108(4)  -.0004(6)  .0014(6)
  O1  .0495(13)  .0443(12)  .0205(5)  .0342(11)  .0021(6)  .0057(6)
  O2  .0368(13)  .0391(14)  .0319(5)  .0307(5)  .0039(9)  .0007(9)
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 . 1.966(2) no
  N O1 . 1.226(2) no
  N O2 . 1.238(3) no
  Na1 O1 . 2.322(2) no
  Na1 O2 6 2.338(2) no
  Na2 O1 . 2.873(2) no
  Na2 O2 . 2.653(2) no
  Co N 11 1.966(2) no
  Co N 2 1.966(2) no
  Co N 10 1.966(2) no
  Co N 12 1.966(2) no
  Co N 3 1.966(2) no
  Na1 O1 3 2.322(2) no
  Na1 O1 2 2.322(2) no
  Na1 O2 5_445 2.338(2) no
  Na1 O2 4_455 2.338(2) no
  Na1 Na2 4_455 3.5130(10)
  no
  Na2 O2 2_545 2.653(2) no
  Na2 O2 13_545 2.653(2) no
  Na2 O2 3_655 2.653(2) no
  Na2 O2 14 2.653(2) no
  Na2 O2 15_445 2.653(2) no
  Na2 O1 13_545 2.873(2) no
  Na2 O1 3_655 2.873(2) no
  Na2 O1 2_545 2.873(2) no
  Na2 O1 15_445 2.873(2) no
  Na2 O1 14 2.873(2) no
  O2 Na1 7_544 2.338(2) no