data_global
_amcsd_formula_title 'Nd2 Ni O4'
loop_
_publ_author_name
'Rodriguez-Carvajal J'
'Fernandez-Diaz M'
'Martinez J'
'Fernandez F'
'Saez-Puche R'
_journal_name_full 'Europhysics Letters'
_journal_volume 11 
_journal_year 1990
_journal_page_first 261
_journal_page_last 268
_publ_section_title
;
 Structural phase transitions and three-dimensional magnetic ordering in
 the Nd2NiO4 oxide
 _cod_database_code 1006027
;
_database_code_amcsd 0012641
_chemical_formula_sum 'Ni Nd2 O4'
_cell_length_a 5.480
_cell_length_b 5.480
_cell_length_c 12.057
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 362.077
_exptl_crystal_density_diffrn      7.543
_symmetry_space_group_name_H-M 'P 42/n c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  '1/2+y,1/2+x,-z'
  '1/2+y,-x,1/2-z'
  '1/2-y,x,1/2+z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,1/2+x,1/2-z'
  'y,1/2-x,1/2+z'
  '1/2-x,y,1/2+z'
  '1/2+x,-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni1   0.00000   0.00000   0.00000
Nd1  -0.01210  -0.01210   0.36410
O1   0.25000   0.25000  -0.02980
O2   0.05080   0.05080   0.17850
O3   0.75000   0.25000   0.00000