data_2007468
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_journal_page_first  893
_journal_page_last  895
_publ_section_title
;
An Oxygen-Centred Tetranuclear Tantalum Cluster:
Ta~4~O(Te~2~)~4~TeI~4~
;
loop_
_publ_author_name
  'Huang, Da-Ping'
  'Huang, Chang-Cang'
  'Liu, Shi-Xiong'
  'Xu, Huai-Da'
  'Huang, Jin-Ling'
_chemical_formula_moiety  'Ta4 O (Te2 )4 Te I4'
_chemical_formula_sum  'I4 O Ta4 Te9'
_chemical_formula_weight  2395.80
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,-y,-z'
  '-x,y,1/2-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,1/2-z'
_cell_length_a  21.97(4)
_cell_length_b  6.155(3)
_cell_length_c  19.98(4)
_cell_angle_alpha  90.
_cell_angle_beta  122.08(9)
_cell_angle_gamma  90.
_cell_volume  2289(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  298
_exptl_crystal_density_diffrn  6.95
_refine_ls_R_factor_obs  .0330
_refine_ls_wR_factor_obs  .0430
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Ta(1)  .07799(2)  .29502(7)  .73638(3)
  Ta(2)  .06446(2)  .05602(7)  .86114(3)
  I(1)  .14303(5)  -.19750(10)
  .99857(5)
  I(2)  .17519(5)  .55160(10)
  .72037(6)
  Te(1)  .17204(4)  .36340(10)
  .90449(5)
  Te(2)  .18157(4)  -.00590(10)
  .83644(5)
  Te(3)  -.02239(5)  .35790(10)
  .56848(5)
  Te(4)  .05881(5)  -.00840(10)
  .62398(5)
  Te(5) .0  .6740(2) .75
  O .0  .164(4) .75
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Ta(1) O . . 2.040(10)
  yes
  Ta(1) I(2) . . 2.807(4) yes
  Ta(1) Te(3) . . 2.900(6) yes
  Ta(2) Te(5) . 1_545 3.021(3) yes
  I(1) Te(3) . 4_546 3.540(4) yes
  Ta(2) O . . 2.010(8) yes
  Ta(2) I(1) . . 2.814(4) yes
  Ta(2) Te(4) . 4_556 2.904(6) yes
  Ta(1) Ta(2) . . 3.042(4) yes
  I(2) Te(2) . 1_565 3.532(3) yes
  Ta(1) Te(4) . . 2.776(3) yes
  Ta(1) Te(1) . . 2.891(6) yes
  Ta(1) Te(5) . . 2.991(3) yes
  Te(1) Te(2) . . 2.713(2) yes
  I(2) Te(4) . 1_565 3.514(4) yes
  Ta(2) Te(3) . 4_556 2.768(2) no
  Ta(1) Ta(2) . 4_556 3.046(6) no
  Ta(2) Te(1) . . 2.782(4) no
  Te(5) O . 1_565 3.02(2) no