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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008998.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008998
_chemical_name_systematic          'Erbium iron boride (2/14/1)'
_chemical_formula_structural       'Er2 Fe14 B'
_chemical_formula_sum              'B Er2 Fe14'
_publ_section_title
;
Structural and magnetic properties of RE2 Fe14 B H(D)x; RE= Y, Ce, Er
;
loop_
_publ_author_name
  'Dalmas=de=Reotier, P'
  'Fruchart, D'
  'Pontonnier, L'
  'Vaillant, F'
  'Wolfers, P'
  'Yaouanc, A'
  'Coey, J M D'
  'Fruchart, R'
  'L'Heritier, P'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_coden_ASTM                JCOMAH
_journal_volume                    129
_journal_year                      1987
_journal_page_first                133
_journal_page_last                 144
_cell_length_a                     8.7495(5)
_cell_length_b                     8.7495
_cell_length_c                     11.9508(10)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       914.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 42/m n m'
_symmetry_Int_Tables_number        136
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,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'
  '1/2-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-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'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Er0    0.000
  Fe0    0.000
  B0     0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Er1   Er0    4 f 0.151(7) 0.151 0. 1.  0 d
  Er2   Er0    4 g 0.739(7) 0.261 0. 1.  0 d
  Fe1   Fe0    4 c 0. 0.5 0. 1.  0 d
  Fe2   Fe0    4 e 0. 0. 0.36(1) 1.  0 d
  Fe3   Fe0    8 j 0.412(8) 0.412 0.305(5) 1.  0 d
  Fe4   Fe0    8 j 0.183(8) 0.183 0.261(8) 1.  0 d
  Fe5   Fe0   16 k 0.728(8) 0.053(9) 0.384(6) 1.  0 d
  Fe6   Fe0   16 k 0.480(7) 0.149(9) 0.320(4) 1.  0 d
  B1    B0     4 f 0.39(2) 0.39 0. 1.  0 d
_refine_ls_R_factor_all            0.115