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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/41/4124103.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_4124103
loop_
_publ_author_name
'Malliakas, C.'
'Kim, H.-J.'
'Billinge, S.J.L.'
'Kanatzidis, M.G.'
_publ_section_title
;
 Square nets of tellurium: rare-earth dependent variation in the
 charge-density wave of RETe3 (RE = rare-earth element)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6510
_journal_page_last               6511
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'Nd Te3'
_space_group_IT_number           40
_symmetry_space_group_name_Hall  'C -2c 2'
_symmetry_space_group_name_H-M   'C 2 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.3469
_cell_length_b                   25.851
_cell_length_c                   4.3629
_cell_volume                     490.267
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Malliakas_JACSAT_2005_566.cif
_cod_data_source_block           Nd1Te3
_cod_original_cell_volume        490.2665
_cod_original_sg_symbol_Hall     'A 2 -2a (z,y,-x)'
_cod_original_formula_sum        'Nd1 Te3'
_cod_database_code               4124103
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
x,y,-z+1/2
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Te2 Te 0.926 0.070323 0.75 1 0.0
Te1 Te 0.9201 0.29551 0.25 1 0.0
Nd1 Nd 0.92 0.169191 0.25 1 0.0
Te3 Te 0.9208 0.42948 0.75 1 0.0
