data_2008294
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  273
_journal_page_last  276
_publ_section_title
;
Cs~2~Mo~3~O~10~
;
loop_
_publ_author_name
  "Enjalbert, Ren\'ee"
  "Guinneton, Fr\'ed\'eric"
  'Galy, Jean'
_chemical_formula_sum  'Cs2 Mo3 O10'
_chemical_formula_structural  'Cs2 Mo3 O10'
_chemical_formula_weight  713.64
_symmetry_cell_setting  'monoclinic'
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  14.4650(10)
_cell_length_b  8.3997(4)
_cell_length_c  9.4614(4)
_cell_angle_alpha  90.00
_cell_angle_beta  97.740(10)
_cell_angle_gamma  90.00
_cell_volume  1139.10(11)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  4.161
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  0.028
_refine_ls_wR_factor_obs  0.075
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Mo1 0.5 0.23042(5) 0.25 0.01704(9) Uani d S 1 . Mo
  Mo2 0.39525(2) 0.43035(4) 0.47440(3) 0.01693(8) Uani d . 1 . Mo
  Cs 0.17805(2) 0.42166(3) 0.16034(3) 0.02644(8) Uani d . 1 . Cs
  O1 0.4529(3) 0.1018(4) 0.1209(4) 0.0345(7) Uani d . 1 . O
  O2 0.3816(2) 0.2889(3) 0.3144(3) 0.0220(5) Uani d . 1 . O
  O3 0.5233(2) 0.4284(4) 0.4038(4) 0.0296(7) Uani d . 1 . O
  O4 0.3606(3) 0.3105(5) 0.6032(4) 0.0384(8) Uani d . 1 . O
  O5 0.3065(2) 0.5617(4) 0.4209(4) 0.0308(7) 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
  Mo1 0.01758(17) 0.01855(18) 0.01533(17) 0.000 0.00345(13) 0.000
  Mo2 0.01488(12) 0.02045(14) 0.01617(13) -0.00249(10) 0.00470(9) -0.00161(10)
  Cs 0.02768(13) 0.02915(14) 0.02295(12) 0.00218(9) 0.00508(9) -0.00131(9)
  O1 0.0345(17) 0.0409(19) 0.0280(16) -0.0097(14) 0.0039(13) -0.0143(14)
  O2 0.0162(10) 0.0257(13) 0.0243(12) -0.0027(9) 0.0036(9) -0.0058(10)
  O3 0.0210(13) 0.0397(17) 0.0299(15) -0.0093(12) 0.0099(11) -0.0188(13)
  O4 0.050(2) 0.0422(19) 0.0247(15) -0.0165(17) 0.0111(14) 0.0080(14)
  O5 0.0243(14) 0.0341(16) 0.0337(16) 0.0072(12) 0.0030(12) -0.0043(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
  Mo1 O1 . 1.703(3) yes
  Mo1 O1 2_655 1.703(3) yes
  Mo1 O2 2_655 1.956(3) no
  Mo1 O2 . 1.956(3) yes
  Mo1 O3 . 2.206(3) yes
  Mo1 O3 2_655 2.206(3) no
  Mo1 Cs 4_545 3.8297(4) ?
  Mo1 Cs 3_545 3.8298(4) ?
  Mo2 O4 . 1.707(3) yes
  Mo2 O5 . 1.716(3) yes
  Mo2 O2 . 1.914(3) yes
  Mo2 O3 5_666 1.938(3) yes
  Mo2 O3 . 2.052(3) yes
  Mo2 Cs 6_566 3.9999(5) ?
  Mo2 Cs . 4.0238(6) ?
  Mo2 Cs 4 4.4064(5) ?
  Cs O1 7 3.058(4) yes
  Cs O4 7_556 3.076(3) yes
  Cs O5 . 3.112(4) yes
  Cs O5 6_565 3.121(4) yes
  Cs O5 4_545 3.135(4) yes
  Cs O2 4 3.220(3) yes
  Cs O2 . 3.299(3) yes
  Cs O1 4 3.349(4) yes
  Cs O1 3_455 3.565(4) yes
  Cs O4 6_565 3.566(4) yes
  Cs Mo1 3_455 3.8297(4) ?
  Cs Mo2 6_565 4.0000(5) ?
  O1 Cs 7 3.058(4) ?
  O1 Cs 4_545 3.349(4) ?
  O1 Cs 3_545 3.565(4) ?
  O2 Cs 4_545 3.220(3) ?
  O3 Mo2 5_666 1.938(3) ?
  O4 Cs 7_556 3.076(3) ?
  O4 Cs 6_566 3.566(4) ?
  O5 Cs 6_566 3.121(4) ?
  O5 Cs 4 3.135(4) ?