data_global
_amcsd_formula_title 'Mo2 O12 Y5'
loop_
_publ_author_name
'Torardi C'
'Fecketter C'
'McCarroll W'
'DiSalvo F'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 60 
_journal_year 1985
_journal_page_first 332
_journal_page_last 342
_publ_section_title
;
 Structure and Properties of Y5Mo2O12 and Gd5Mo2O12: Mixed
 Valence Oxides with Structurally Equivalent Molybdenum Atoms
 _cod_database_code 1005059
;
_database_code_amcsd 0013567
_chemical_formula_sum 'Mo2 Y5 O12'
_cell_length_a 12.2376
_cell_length_b 5.7177
_cell_length_c 7.4835
_cell_angle_alpha 90
_cell_angle_beta 108.034
_cell_angle_gamma 90
_cell_volume 497.903
_exptl_crystal_density_diffrn      5.526
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mo1   0.00000   0.71830   0.00000
Y1   0.19364   0.00000   0.36027
Y2   0.81488   0.00000   0.17640
Y3   0.00000   0.50000   0.50000
O1   0.66300   0.25440   0.08180
O2   0.84540   0.75130   0.42450
O3   0.50020   0.00000   0.79710
O4   0.00060   0.00000   0.18160
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 1.44055 0.71217 0.51304 0.00000 -0.08390 0.00000
Y1 1.71494 0.61279 0.51304 0.00000 -0.29364 0.00000
Y2 1.57774 0.69560 0.87218 0.00000 0.12585 0.00000
Y3 1.92073 1.05997 0.46174 0.00000 -0.08390 0.00000
O1 1.44055 1.17590 1.25696 0.10112 0.25169 -0.04122
O2 3.42987 0.66248 1.02609 0.33706 0.00000 0.20612
O3 4.80182 1.32496 0.76957 0.00000 0.83897 0.00000
O4 2.05792 0.99372 0.51304 0.00000 0.41948 0.00000