data_11984PLUSNIO_MN
_audit_creation_method         'generated by CrystalMaker 2.5.2'
_publ_section_comment
;
Systematic name:  ?




Chemical formula (sum): Li Mn1.51 Ni0.49 O4

Chemical formula weight: 182.64


Crystal structure data from:  ?. 



Abstract:  ?

Comment:  ?
;
_chemical_formula_sum                  "Li Mn1.51 Ni0.49 O4"
_chemical_formula_weight               182.64
_cell_formula_units_Z                  8
_computing_structure_refinement        GSAS
_cell_measurement_temperature     300
_cell_length_a                   8.1733(4)
_cell_length_b                   8.1733(4)
_cell_length_c                   8.1733(4)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'P 43 3 2'
_symmetry_Int_Tables_number         212
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'+z,+x,+y'
'+y,+z,+x'
'3/4-y,1/4+x,3/4+z'
'3/4-x,1/4+z,3/4+y'
'3/4-z,1/4+y,3/4+x'
'1/2+x,1/2-y,-z'
'1/2+z,1/2-x,-y'
'1/2+y,1/2-z,-x'
'1/4-y,1/4-x,1/4-z'
'1/4-x,1/4-z,1/4-y'
'1/4-z,1/4-y,1/4-x'
'-x,1/2+y,1/2-z'
'-z,1/2+x,1/2-y'
'-y,1/2+z,1/2-x'
'1/4+y,3/4+x,3/4-z'
'1/4+x,3/4+z,3/4-y'
'1/4+z,3/4+y,3/4-x'
'1/2-x,-y,1/2+z'
'1/2-z,-x,1/2+y'
'1/2-y,-z,1/2+x'
'3/4+y,3/4-x,1/4+z'
'3/4+x,3/4-z,1/4+y'
'3/4+z,3/4-y,1/4+x'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
   Li1    Li 1.0000      0.0037    0.0037    0.0037    0.0073
   Mn1    Mn 1.0000      0.1250    0.3794    0.8706    0.0032
   Ni1    Ni 0.9717      0.6250    0.6250    0.6250    0.0037
   Mn2    Mn 0.0283      0.6250    0.6250    0.6250    0.0037
    O1    O  1.0000      0.3847    0.3847    0.3847    0.0017
    O2    O  1.0000      0.1498    0.8577    0.1245    0.0017
_reflns_number_total                   678
_diffrn_radiation_probe                neutron
_refine_ls_R_Fsqd_factor               0.05849
_pd_proc_ls_prof_wR_factor             0.0436