#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012921.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_2012921
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  i124
_journal_page_last  i125
_publ_section_title
;
Dineodymium tritelluride, Nd~2~Te~3~
;
loop_
_publ_author_name
  'Ijjaali, Ismail'
  'Ibers, James A.'
_chemical_formula_sum  'Nd2 Te3'
_chemical_formula_iupac  'Nd2 Te3'
_chemical_formula_weight  671.28
_symmetry_cell_setting  Orthorhombic
_symmetry_space_group_name_H-M  'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  '-x, y+1/2, -z'
  'x+1/2, -y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, y, -z-1/2'
  'x, -y-1/2, z'
  '-x-1/2, y-1/2, z-1/2'
_cell_length_a  12.1856(5)
_cell_length_b  4.3869(2)
_cell_length_c  11.8687(5)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  634.47(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  153(2)
_exptl_crystal_density_diffrn  7.028
_diffrn_ambient_temperature  153(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Nd1 0.01532(3) 0.2500 0.31245(2) 0.00639(11) Uani d S 1 . . Nd
  Nd2 0.19600(2) 0.2500 0.00074(3) 0.00673(11) Uani d S 1 . . Nd
  Te1 0.11962(3) 0.2500 0.55688(3) 0.00653(12) Uani d S 1 . . Te
  Te2 0.27404(3) 0.2500 0.29999(3) 0.00711(12) Uani d S 1 . . Te
  Te3 0.45621(3) 0.2500 0.62357(3) 0.00612(12) Uani d S 1 . . Te
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Nd1 0.00570(18) 0.00789(17) 0.00559(17) 0.000 -0.00004(10) 0.000
  Nd2 0.00525(19) 0.00757(17) 0.00737(18) 0.000 0.00066(10) 0.000
  Te1 0.0058(2) 0.00784(19) 0.0060(2) 0.000 0.00075(13) 0.000
  Te2 0.0053(2) 0.00965(19) 0.0064(2) 0.000 0.00095(13) 0.000
  Te3 0.0057(2) 0.00745(19) 0.0052(2) 0.000 -0.00039(12) 0.000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Nd1 Te1 5_556 3.1496(3) ?
  Nd1 Te1 5_566 3.1496(3) ?
  Nd1 Te3 2_554 3.1555(3) ?
  Nd1 Te3 2_564 3.1555(3) ?
  Nd1 Te2 . 3.1562(5) ?
  Nd1 Te1 . 3.1672(5) ?
  Nd1 Te2 6_556 3.2288(5) ?
  Nd2 Te1 2_564 3.2099(4) ?
  Nd2 Te1 2_554 3.2099(4) ?
  Nd2 Te3 2_554 3.2213(4) ?
  Nd2 Te3 2_564 3.2213(4) ?
  Nd2 Te2 2_554 3.2590(4) ?
  Nd2 Te2 2_564 3.2590(4) ?
  Nd2 Te3 6_556 3.2733(5) ?
  Nd2 Te2 . 3.6769(5) ?
  Te1 Nd1 5_566 3.1496(3) ?
  Te1 Nd1 5_556 3.1496(3) ?
  Te1 Nd2 2_565 3.2099(4) ?
  Te1 Nd2 2 3.2099(4) ?
  Te2 Nd1 6_656 3.2288(5) ?
  Te2 Nd2 2_565 3.2590(4) ?
  Te2 Nd2 2 3.2590(4) ?
  Te3 Nd1 2_565 3.1555(3) ?
  Te3 Nd1 2 3.1555(3) ?
  Te3 Nd2 2 3.2213(4) ?
  Te3 Nd2 2_565 3.2213(4) ?
  Te3 Nd2 6_656 3.2733(5) ?