#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/89/1008947.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_1008947
_chemical_name_systematic          'Neodymium cobalt boride (2/14/1)'
_chemical_formula_structural       'Nd2 Co14 B'
_chemical_formula_sum              'B Co14 Nd2'
_publ_section_title
;
Crystallographic and magnetic studies of Nd2 Co14 B and Y2 Co14 B
;
loop_
_publ_author_name
  'Le Roux, D'
  'Vincent, H'
  'L'Heritier, P'
  'Fruchart, R'
_journal_name_full                 'Journal de Physique (Paris), Colloque.'
_journal_coden_ASTM                JPQCAK
_journal_volume                    6
_journal_year                      1985
_journal_page_first                243
_journal_page_last                 247
_cell_length_a                     8.646(2)
_cell_length_b                     8.646(2)
_cell_length_c                     11.864(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       886.9
_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
  Nd0    0.000
  Co0    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
  Nd1   Nd0    4 f 0.14414(4) 0.14414(4) 0. 1.  0 d
  Nd2   Nd0    4 g 0.72471(4) -0.72471(4) 0. 1.  0 d
  Co1   Co0    4 c 0. 0.5 0. 1.  0 d
  Co2   Co0   16 k 0.72375(4) 0.06925(4) 0.37357(3) 1.  0 d
  Co3   Co0   16 k 0.46300(4) 0.13985(4) 0.32192(3) 1.  0 d
  Co4   Co0    8 j 0.18165(8) 0.18165(8) 0.25336(5) 1.  0 d
  Co5   Co0    8 j 0.40123(8) 0.40123(8) 0.29495(5) 1.  0 d
  Co6   Co0    4 e 0. 0. 0.38420(6) 1.  0 d
  B1    B0     4 f 0.37665(96) 0.37665(96) 0. 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Nd1   0.0062(5) -0.0018(5) 0. 0.0062(5) 0. 0.0059(5)
  Nd2   0.0062(5) -0.0014(5) 0. 0.0062(5) 0. 0.0052(5)
  Co1   0.0077(5) -0.0001(5) 0. 0.0088(5) 0. 0.0066(5)
  Co2   0.0048(5) -0.0011(5) -0.0019(5) 0.0069(5) -0.0001(5) 0.0072(5)
  Co3   0.0054(5) 0.0007(5) -0.0006(5) 0.0051(5) 0.0010(5) 0.0059(5)
  Co4   0.0064(5) 0.0009(5) -0.0003(5) 0.0064(5) 0.0003(5) 0.0041(4)
  Co5   0.0059(5) 0.0011(5) 0.0010(5) 0.0059(5) 0.0010(5) 0.0063(5)
  Co6   0.0057(5) 0.0026(5) 0. 0.0057(5) 0. 0.0064(5)
  B1    0.0103(40) 0.0018(40) 0. 0.0103(40) 0. 0.0074(40)
_refine_ls_R_factor_all            0.011
_cod_database_code 1008947