data_2200587
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  i106
_journal_page_last  i108
_publ_section_title
;
Tb~2~Mo~4~O~15~
;
loop_
_publ_author_name
  ' Haruo Naruke'
  ' Toshihiro Yamase '
_chemical_formula_sum  'Mo4 O15 Tb2 '
_chemical_formula_structural  'Tb2 Mo4 O15'
_chemical_formula_weight  941.60
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,1/2+y,1/2-z
  -x,-y,-z
  x,1/2-y,1/2+z
_cell_length_a  6.8666(4)
_cell_length_b  9.6596(3)
_cell_length_c  10.5866(5)
_cell_angle_alpha  90
_cell_angle_beta  105.827(2)
_cell_angle_gamma  90
_cell_volume  675.57(6)
_cell_formula_units_Z  2
_cell_measurement_temperature  296.2
_exptl_crystal_density_diffrn  4.629
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
  Tb  .78645(3)  .02347(2)  .72258(2)  .00878(8) Uani d . 1.00 . . Tb
  Mo1  .62161(6)  .40522(4)  .65547(4)  .01010(10)
  Uani d . 1.00 . . Mo
  Mo2  .91738(6)  -.24357(4)  .48824(4)  .00970(10)
  Uani d . 1.00 . . Mo
  O1  .5000  .5000  .5000  .0230(10)
  Uani d S 1.00 . . O
  O2  .7563(5)  -.3652(4)  .3829(3)  .0165(8) Uani d . 1.00 . . O
  O3  .6110(5)  .2267(4)  .6456(3)  .0175(8) Uani d . 1.00 . . O
  O4  .7783(6)  -.1534(4)  .5792(4)  .0199(9) Uani d . 1.00 . . O
  O5  .8769(5)  .4423(4)  .6818(4)  .0192(8) Uani d . 1.00 . . O
  O6 1.0193(6)  -.1280(4)  .3965(4)  .0200(9) Uani d . 1.00 . . O
  O7  .5571(6)  .4720(4)  .7922(4)  .0188(9) Uani d . 1.00 . . O
  O8 1.1158(6)  -.3305(4)  .5992(3)  .0208(9) Uani d . 1.00 . . 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
  Tb  .0097(2)  .0078(2)  .0091(2)  .00022(7)  .00296(9)  .00045(7)
  Mo1  .0090(2)  .0097(2)  .0111(2)  .00080(10)
  .00160(10)
  .00030(10)
  Mo2  .0123(2)  .0090(2)  .0083(2)  -.00150(10)
  .00340(10)
  -.00010(10)
  O1  .017(3)  .029(3)  .023(2)  .006(2)  .004(2)  .019(2)
  O2  .015(2)  .019(2)  .014(2)  -.0020(10)
  .0020(10)
  -.0070(10)
  O3  .015(2)  .0100(10)
  .024(2)  .0040(10)
  .0000(10)
  .0000(10)
  O4  .024(2)  .017(2)  .023(2)  -.0050(10)
  .0130(10)
  -.0130(10)
  O5  .0110(10)
  .024(2)  .022(2)  -.0030(10)
  .0040(10)
  -.006(2)
  O6  .020(2)  .019(2)  .025(2)  .0010(10)
  .0130(10)
  .0070(10)
  O7  .014(2)  .025(2)  .017(2)  .0000(10)
  .0040(10)
  -.0100(10)
  O8  .021(2)  .021(2)  .017(2)  -.0010(10)
  -.0020(10)
  .0070(10)
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
  Tb O4 . . 2.276(3) yes
  Tb O6 . 3_756 2.303(3) yes
  Tb O8 . 2_756 2.304(3) yes
  Tb O3 . . 2.331(3) yes
  Tb O2 . 4_545 2.335(3) yes
  Tb O7 . 2_646 2.374(4) yes
  Tb O5 . 2_746 2.389(3) yes
  Mo1 O3 . . 1.728(4) yes
  Mo1 O5 . . 1.736(3) yes
  Mo1 O7 . . 1.749(3) yes
  Mo1 O1 . . 1.8695(3) yes
  Mo1 O2 . 3_656 2.544(3) yes
  Mo2 O6 . . 1.747(3) yes
  Mo2 O8 . . 1.752(4) yes
  Mo2 O4 . . 1.760(3) yes
  Mo2 O2 . . 1.782(3) yes
  Mo2 O5 . 3_756 3.211(4) yes