#------------------------------------------------------------------------------
#$Date: 2014-02-06 11:22:47 +0000 (Thu, 06 Feb 2014) $
#$Revision: 100680 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/08/8100825.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_8100825
loop_
_publ_author_name
'JemetioFeudjio, Jean-Paul'
'Doert, Thomas'
'B\"ottcher, Peter'
_publ_section_title
;
YCuAs2,TbCuAs2, DyCuAs2, ErCuAs2 and TmCuAs2
;
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'As2 Cu Tb'
_chemical_formula_weight         372.30
_chemical_name_common            'terbium copper diarsenide'
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   3.901(1)
_cell_length_b                   3.901(1)
_cell_length_c                   9.901(2)
_cell_measurement_temperature    293(2)
_cell_volume                     150.67(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    8.206
_[local]_cod_cif_authors_sg_H-M  'P 4/n m m'
_cod_database_code               8100825
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'y+1/2, x+1/2, -z'
'-y, -x, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -z'
'x, -y-1/2, z'
'-x-1/2, y, z'
'-y-1/2, -x-1/2, z'
'y, x, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb Tb 0.2500 0.2500 0.23803(8) 0.0089(4) Uani 1 2 d S . .
As1 As -0.2500 0.2500 0.0000 0.0132(6) Uani 1 2 d S . .
As2 As -0.2500 -0.2500 0.34006(18) 0.0090(5) Uani 1 2 d S . .
Cu Cu -0.2500 0.2500 0.5000 0.0120(6) Uani 1 2 d S . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Tb 0.0059(4) 0.0059(4) 0.0149(5) 0.000 0.000 0.000
As1 0.0124(7) 0.0124(7) 0.0149(10) 0.000 0.000 0.000
As2 0.0049(6) 0.0049(6) 0.0173(11) 0.000 0.000 0.000
Cu 0.0102(8) 0.0102(8) 0.0158(12) 0.000 0.000 0.000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 As2 2.9376(9) 1_665 ?
Tb1 As2 2.9376(9) . ?
Tb1 As2 2.9376(9) 1_565 ?
Tb1 As2 2.9376(9) 1_655 ?
Tb1 As1 3.0592(8) 9 ?
Tb1 As1 3.0592(8) . ?
Tb1 As1 3.0592(8) 9_565 ?
Tb1 As1 3.0592(8) 1_655 ?
Tb1 Cu1 3.2454(8) 9_566 ?
Tb1 Cu1 3.2454(8) 1_655 ?
Tb1 Cu1 3.2454(8) 9_556 ?
Tb1 Cu1 3.2454(8) . ?
As2 Cu1 2.5124(12) 9_556 ?
As2 Cu1 2.5124(12) . ?
As2 Cu1 2.5124(12) 9_456 ?
As2 Cu1 2.5124(12) 1_545 ?
As2 Tb1 2.9376(9) 1_445 ?
As2 Tb1 2.9376(9) 1_545 ?
As2 Tb1 2.9376(9) 1_455 ?
Cu1 As2 2.5124(12) 9_556 ?
Cu1 As2 2.5124(12) 9_456 ?
Cu1 As2 2.5124(12) 1_565 ?
Cu1 Cu1 2.7584(7) 9_566 ?
Cu1 Cu1 2.7584(7) 9_456 ?
Cu1 Cu1 2.7584(7) 9_466 ?
Cu1 Cu1 2.7584(7) 9_556 ?
Cu1 Tb1 3.2454(8) 1_455 ?
Cu1 Tb1 3.2454(8) 9_566 ?
Cu1 Tb1 3.2454(8) 9_556 ?
As1 As1 2.7584(7) 9_565 ?
As1 As1 2.7584(7) 9_455 ?
As1 As1 2.7584(7) 9_465 ?
As1 As1 2.7584(7) 9 ?
As1 Tb1 3.0592(8) 9 ?
As1 Tb1 3.0592(8) 9_565 ?
As1 Tb1 3.0592(8) 1_455 ?