data_global
_amcsd_formula_title 'Ni3(BO3)2'
loop_
_publ_author_name
'Effenberger H'
'Pertlik F'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 166
_journal_year 1984
_journal_page_first 129
_journal_page_last 140
_publ_section_title
;
 Verfeinerung der kristallstrukturen der isotypen verbindungen
 M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
;
_database_code_amcsd 10867
_chemical_formula_sum 'Ni3 B2 O6'
_cell_length_a 5.396
_cell_length_b 8.297
_cell_length_c 4.459
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 199.632
_exptl_crystal_density_diffrn  4.886
_symmetry_space_group_name_H-M 'P n m n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  'x,-y,z'
  '-x,y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
NiM1   0.0  0.0  0.0  0.00469
NiM2   0.0  0.31572  0.5  0.00481
B   0.2551  0.0  0.5439  0.0038
O1   0.3243  0.0  0.2489  0.00291
O2   0.2011  0.1399  0.7012  0.00633