data_global
_chemical_name_mineral 'Bonaccordite'
loop_
_publ_author_name
'Perkins D A'
'Attfield J P'
_journal_name_full 'Journal of the Chemical Society, Chemical Communications'
_journal_volume 1991 
_journal_year 1991
_journal_page_first 229
_journal_page_last 231
_publ_section_title
;
 Resonant powder X-ray determination of the cation distribution in FeNi2BO5
;
_database_code_amcsd 0014105
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Fe Ni2) B O5'
_cell_length_a 9.21048
_cell_length_b 12.23794
_cell_length_c 3.00620
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 338.851
_exptl_crystal_density_diffrn      5.176
_symmetry_space_group_name_H-M 'P b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-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_occupancy
_atom_site_U_iso_or_equiv
FeM1   0.00000   0.00000   0.00000   0.08800   0.00165
NiM1   0.00000   0.00000   0.00000   0.91200   0.00165
FeM2   0.50000   0.00000   0.50000   0.38500   0.00165
NiM2   0.50000   0.00000   0.50000   0.61500   0.00165
FeM3  -0.00010   0.28140   0.00000   0.14400   0.00165
NiM3  -0.00010   0.28140   0.00000   0.85600   0.00165
FeM4   0.73780   0.38480   0.50000   0.61900   0.00165
NiM4   0.73780   0.38480   0.50000   0.38100   0.00165
B   0.27400   0.36020   0.50000   1.00000   0.00380
O1   0.85160   0.04380   0.50000   1.00000   0.00165
O2   0.39100   0.07630   0.00000   1.00000   0.00165
O3   0.62760   0.13940   0.50000   1.00000   0.00165
O4   0.10380   0.14440   0.00000   1.00000   0.00165
O5   0.84970   0.23950   0.50000   1.00000   0.00165