data_global
_amcsd_formula_title 'Nd2NiO4'
loop_
_publ_author_name
'Puche R'
'Fernandez F'
'Rodriguez Carvajal J'
'Martinez J'
_journal_name_full 'Solid State Communications'
_journal_volume 72 
_journal_year 1989
_journal_page_first 273
_journal_page_last 277
_publ_section_title
;
 Magnetic And X-Ray Diffraction Characterization of Stoichiometric
 Pr2NiO4 and Nd2NiO4 Oxides
 _cod_database_code 1006011
;
_database_code_amcsd 0015461
_chemical_formula_sum 'Nd2 Ni O4'
_cell_length_a 5.3814
_cell_length_b 5.5850
_cell_length_c 12.1143
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 364.097
_exptl_crystal_density_diffrn      7.501
_symmetry_space_group_name_H-M 'B m a b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  'x,1/2+y,1/2-z'
  '1/2+x,1/2+y,-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,1/2-y,+z'
  '-x,y,z'
  '1/2-x,y,1/2+z'
  'x,-y,-z'
  '1/2+x,-y,1/2-z'
  'x,1/2-y,1/2+z'
  '1/2+x,1/2-y,+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nd1   0.00000  -0.01510   0.36370
Ni1   0.00000   0.00000   0.00000
O1   0.25000   0.25000  -0.01100
O2   0.00000   0.07800   0.18200