#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2200089.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_2200089
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  m111
_journal_page_last  m113
_publ_section_title
;
BING-1: a tin oxalate sodium fluoride framework, Na~4~Sn~4~(C~2~O~4~)~3~F~6~
;
loop_
_publ_author_name
  'Salami, Tolulope O.'
  'Zavalij, Peter Y.'
  'Oliver, Scott R. J.'
_chemical_formula_moiety
;
Na4 Sn4 (C2 O4)3 F6
;
_chemical_formula_sum  'C6 F6 Na4 O12 Sn4'
_chemical_formula_structural  'Na4 Sn4 (C2 O4)3 F6'
_chemical_formula_iupac  'Na4 Sn4 (C2 O4)3 F6'
_chemical_formula_weight  944.78
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  6.0283(4)
_cell_length_b  8.7916(6)
_cell_length_c  9.1191(6)
_cell_angle_alpha  69.4860(10)
_cell_angle_beta  81.5080(10)
_cell_angle_gamma  83.0170(10)
_cell_volume  446.41(5)
_cell_formula_units_Z  1
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  3.514
_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
  Na1  -.2913(3)  .0444(2)  -.4217(2)  .0316(4) Uani d . 1 . . Na
  Na2  .1397(3)  .2643(2)  -.3760(2)  .0272(4) Uani d . 1 . . Na
  Sn1  .16908(4)  -.13839(3)  -.13383(3)  .02056(9) Uani d . 1 . . Sn
  Sn2  .16735(5)  .43093(3)  -.82016(3)  .02177(10) Uani d . 1 . . Sn
  F1  .3612(4)  -.0411(3)  -.3430(3)  .0309(6) Uani d . 1 . . F
  F2  -.0601(4)  .0434(3)  -.2572(3)  .0307(6) Uani d . 1 . . F
  F3  .1316(5)  .2346(3)  -.6173(3)  .0334(6) Uani d . 1 . . F
  C1  .4140(7)  .0761(5)  -.0139(5)  .0209(8) Uani d . 1 . . C
  O1  .2467(5)  .0761(4)  -.0830(4)  .0245(6) Uani d . 1 . . O
  O2  .4532(6)  .1848(4)  .0324(4)  .0340(8) Uani d . 1 . . O
  C2  .6026(7)  .5028(5)  -.7296(5)  .0199(7) Uani d . 1 . . C
  O3  .5433(5)  .4089(4)  -.7904(4)  .0298(7) Uani d . 1 . . O
  O4  .7991(5)  .5225(4)  -.7153(4)  .0265(7) Uani d . 1 . . O
  C3  .4118(6)  .6055(5)  -.6648(5)  .0187(7) Uani d . 1 . . C
  O5  .2124(5)  .5788(4)  -.6765(4)  .0259(6) Uani d . 1 . . O
  O6  .4600(5)  .7024(4)  -.6081(4)  .0234(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
  Na1  .0268(9)  .0389(11)  .0365(10)  .0067(8)  -.0150(8)  -.0206(9)
  Na2  .0237(8)  .0253(9)  .0347(10)  -.0040(7)  -.0055(7)  -.0111(8)
  Sn1  .02303(15)  .01670(15)  .02039(15)  -.00257(11)  -.00571(10)
  -.00269(11)
  Sn2  .02411(16)  .01898(15)  .02294(16)  -.00104(11)  -.00900(11)
  -.00565(12)
  F1  .0356(14)  .0366(15)  .0188(12)  -.0098(12)  -.0003(10)  -.0063(11)
  F2  .0301(13)  .0235(13)  .0360(15)  .0002(11)  -.0197(11)  -.0012(11)
  F3  .0479(16)  .0207(13)  .0283(14)  .0021(12)  -.0110(12)  -.0029(11)
  C1  .0208(18)  .0217(19)  .0207(19)  .0021(15)  -.0077(15)  -.0070(16)
  O1  .0267(15)  .0196(14)  .0285(16)  .0016(12)  -.0122(12)  -.0070(13)
  O2  .0323(17)  .0298(17)  .048(2)  .0049(14)  -.0183(15)  -.0209(17)
  C2  .0193(17)  .0197(18)  .0200(18)  .0013(14)  -.0040(14)  -.0058(15)
  O3  .0218(14)  .0314(17)  .045(2)  .0012(13)  -.0064(13)  -.0240(16)
  O4  .0153(13)  .0307(17)  .0368(18)  .0025(12)  -.0055(12)  -.0160(15)
  C3  .0168(17)  .0175(18)  .0200(18)  .0021(14)  -.0050(14)  -.0038(15)
  O5  .0169(13)  .0289(16)  .0381(18)  .0004(12)  -.0079(12)  -.0179(15)
  O6  .0210(13)  .0215(15)  .0314(16)  .0002(11)  -.0088(12)  -.0119(13)
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
  Na1 F2 . 2.190(3) yes
  Na1 F1 1_455 2.243(3) yes
  Na1 F1 2_554 2.257(3) yes
  Na1 O6 2_564 2.419(3) yes
  Na1 F3 2_554 2.446(3) yes
  Na2 F2 . 2.260(3) yes
  Na2 F3 . 2.313(3) yes
  Na2 O4 2_664 2.386(4) yes
  Na2 O6 2_664 2.443(3) yes
  Na2 O5 2_564 2.467(3) yes
  Na2 O1 . 2.729(4) ?
  Na2 F1 . 2.787(3) ?
  Sn1 F1 . 2.039(3) yes
  Sn1 F2 . 2.095(2) yes
  Sn1 O1 . 2.209(3) yes
  Sn1 O2 2_655 2.518(3) yes
  Sn2 F3 . 2.045(3) yes
  Sn2 O5 . 2.206(3) yes
  Sn2 O3 . 2.299(3) yes
  Sn2 O4 1_455 2.443(3) yes
  F1 Na1 1_655 2.243(3) ?
  F1 Na1 2_554 2.257(3) ?
  F3 Na1 2_554 2.446(3) ?
  C1 O2 . 1.231(5) yes
  C1 O1 . 1.265(5) yes
  C1 C1 2_655 1.559(8) yes
  O2 Sn1 2_655 2.518(3) ?
  C2 O4 . 1.249(5) yes
  C2 O3 . 1.252(5) yes
  C2 C3 . 1.552(5) yes
  O4 Na2 2_664 2.386(4) ?
  O4 Sn2 1_655 2.443(3) ?
  C3 O6 . 1.221(5) yes
  C3 O5 . 1.279(5) yes
  O5 Na2 2_564 2.467(3) ?
  O6 Na1 2_564 2.419(3) ?
  O6 Na2 2_664 2.443(3) ?