#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000659.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_2000659
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1386
_journal_page_last  1389
loop_
_publ_author_name
 'Das, K.'
 'Sinha, U.C.'
 'Mathur, P.'
_chemical_formula_moiety  '2(C7 H3 Fe2 O6 Te1),C1 H2 Te2'
_chemical_formula_sum  'C15 H8 Fe4 O12 Te4'
_chemical_formula_weight  1090.01
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_space_group_name_Hall  ?
_cell_length_a  28.865(10)
_cell_length_b  13.787(7)
_cell_length_c  14.733(4)
_cell_angle_alpha  90.
_cell_angle_beta  104.67(2)
_cell_angle_gamma  90.
_cell_volume  5671.86
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  2.637
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  4096
_exptl_absorpt_coefficient_mu  5.83
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.7107
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Fe(1) .40650(10)
       .4995(2) .33290(10)
          .0043(2)
 Fe(3) .40630(10)
       .0011(2) .07360(10)
          .0043(2)
 C(11) .3699(5) .4926(16) .4093(10) .0064(13)
 O(11) .3469(4) .4928(16) .4637(9) .0117(12)
 C(31) .3703(5) .997(2)   -.0393(11) .0083(14)
 O(31) .3446(6) .9926(18) -.1171(9) .0149(14)
 Te(1') .4385(2) .5559(4) .1943(4) .0034(6)
 Te(2') .3358(2) .4533(5) .2007(4) .0044(7)
 Fe(2') .3634(4) .6331(9) .2245(8) .0042(10)
 Te(3') .4383(2) .0484(5) .2436(4) .0041(6)
 Te(4') .3315(2) .9594(5) .1361(5) .0051(6)
 Fe(4') .3648(4) .1395(8) .1524(9) .0042(11)
 C(1') .5000 .643(6)   .2500 .0013(9)
 C(2') .275(3)   .443(6)   .257(5)   .0023(9)
 C(3') .5000 .160(8)   .2500 .0035(10)
 C(4') .268(3)   -.046(5)   .017(5)   .0016(9)
 C(12') .546(2)   .435(5)   .593(4)   .0015(9)
 O(12') .5190(19) .388(4)   .533(4)   .0021(9)
 C(13') .438(2)   .393(4)   .344(5)   .0013(9)
 O(13') .445(2)   .308(4)   .366(4)   .0029(9)
 C(21') .402(4)   .733(7)   .261(6)   .0035(10)
 O(21') .419(3)   .793(5)   .322(5)   .0042(9)
 C(22') .344(3)   .681(6)   .113(5)   .0029(10)
 O(22') .327(2)   .716(5)   .035(4)   .0033(9)
 C(23') .325(3)   .662(6)   .280(5)   .0027(9)
 O(23') .294(2)   .669(5)   .322(4)   .0034(9)
 C(32') .420(3)   .884(5)   .046(5)   .0025(9)
 O(32') .440(2)   .806(4)   .059(4)   .0027(9)
 C(33') .447(2)   .063(5)   .020(5)   .0017(9)
 O(33') .484(2)   .106(4)   .020(4)   .0025(9)
 C(41') .397(2)   .223(5)   .127(5)   .0019(9)
 O(41') .4243(19) .290(4)   .131(4)   .0024(9)
 C(42') .352(3)   .181(6)   .258(5)   .0026(9)
 O(42') .330(3)   .213(5)   .313(5)   .0041(9)
 C(43') .321(3)   .173(6)   .056(5)   .0019(9)
 O(43') .285(3)   .210(6)   .012(5)   .0023(9)