data_4000565
_journal_name_full   'Chemistry of Materials'
_journal_year       2005
_chemical_formula_sum                    'Cd1.25 Li0.5 O4 V1'
_chemical_formula_weight                 258.9
_symmetry_cell_setting                   orthorhombic
_space_group_ssg_name                    'Xmcm(00\g)000'
_symmetry_space_group_name_H-M    'Xmcm(00\g)000'
loop_
 _space_group_symop_ssg_id
 _space_group_symop_ssg_operation_algebraic
 1   x1,x2,x3,x4
 2   -x1,x2,x3,x4
 3   x1,-x2,1/2+x3,x4
 4   -x1,-x2,1/2+x3,x4
 5   -x1,-x2,-x3,-x4
 6   x1,-x2,-x3,-x4
 7   -x1,x2,1/2-x3,-x4
 8   x1,x2,1/2-x3,-x4
 9   1/2+x1,1/2+x2,x3,1/2+x4
 10  1/2-x1,1/2+x2,x3,1/2+x4
 11  1/2+x1,1/2-x2,1/2+x3,1/2+x4
 12  1/2-x1,1/2-x2,1/2+x3,1/2+x4
 13  1/2-x1,1/2-x2,-x3,1/2-x4
 14  1/2+x1,1/2-x2,-x3,1/2-x4
 15  1/2-x1,1/2+x2,1/2-x3,1/2-x4
 16  1/2+x1,1/2+x2,1/2-x3,1/2-x4
_cell_length_a                           5.8705(10)
_cell_length_b                           9.028(2)
_cell_length_c                           6.7112(6)
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        90
_cell_volume                             355.68(10)
_cell_modulation_dimension               1
loop_
 _cell_wave_vector_seq_id
 _cell_wave_vector_x
 _cell_wave_vector_y
 _cell_wave_vector_z
 1   0.00000   0.00000   0.75000
_cell_formula_units_Z                    4
_cell_measurement_temperature            293
_exptl_crystal_density_diffrn            4.8337(14)
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Cd1 Cd 0 0 0.5 Uani 0.01203(10) 4 1 d . . .
  Cd2 Cd 0 0.316(2) 0.75 Uani 0.040(3) 4 0.25 d . . .
  Li2 Li 0 0.325 0.75 Uiso 0.017(5) 4 0.5 d . . .
  V1 V 0 0.64206(7) 0.75 Uani 0.01034(17) 4 1 d . . .
  O1 O 0.2615(4) 0.0261(2) 0.75 Uani 0.0136(5) 8 1 d . . .
  O2 O 0 0.2512(3) 0.4538(4) Uani 0.0241(7) 8 1 d . . .