data_global
_amcsd_formula_title 'B D2.58 Er2 Fe14'
loop_
_publ_author_name
'Dalmas de Reotier P'
'Fruchart D'
'Pontonnier L'
'Vaillant F'
'Wolfers P'
'Yaouanc A'
'Coey J'
'Fruchart R'
'L'Heritier P'
_journal_name_full 'Journal of the Less-Common Metals'
_journal_volume 129 
_journal_year 1987
_journal_page_first 133
_journal_page_last 144
_publ_section_title
;
 Structural and magnetic properties of RE2 Fe14 B H (D)x; RE=Y, Ce, Er
 _cod_database_code 1008950
;
_database_code_amcsd 0016817
_chemical_formula_sum 'Er2 Fe14 B D2.58'
_cell_length_a 8.825
_cell_length_b 8.825
_cell_length_c 12.069
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 939.941
_exptl_crystal_density_diffrn      8.002
_symmetry_space_group_name_H-M 'P 42/m n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,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'
  'y,x,z'
  '-y,-x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Er1   0.15100   0.15100   0.00000   1.00000
Er2   0.72200  -0.72200   0.00000   1.00000
Fe1   0.00000   0.50000   0.00000   1.00000
Fe2   0.73000   0.05700   0.38000   1.00000
Fe3   0.45200   0.12900   0.33500   1.00000
Fe4   0.19400   0.19400   0.24200   1.00000
Fe5   0.40500   0.40500   0.28600   1.00000
Fe6   0.00000   0.00000   0.37500   1.00000
B1   0.39000   0.39000   0.00000   1.00000
D1   0.49800   0.49800   0.42100   0.50000
D2   0.44000   0.28000   0.40000   0.20000
D3   0.47000   0.18000   0.45000   0.07000
D4   0.00000   0.00000   0.14800   0.50000