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#$Date: 2015-10-10 04:08:59 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164214 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/64/1536491.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_1536491
loop_
_publ_author_name
'Doert, T.'
'Tsinde, B.P.F.'
'Lidin, S.'
'Garcia Garcia, F.J.'
_publ_section_title
;
 Site occupancy wave and charge density wave in the modulated structure of
 Nd0.6 Gd0.4 Se1.85
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1598
_journal_page_last               1606
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Gd0.4 Nd0.6 Se1.839'
_chemical_name_systematic        'Nd0.6 Gd0.4 Se1.839'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.088
_cell_length_b                   4.088
_cell_length_c                   16.672
_cell_volume                     278.618
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Doert_JSSCBI_2004_1101.cif
_cod_data_source_block           Gd0.4Nd0.6Se1.839
_cod_original_cell_volume        278.6182
_cod_database_code               1536491
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
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
Se1 Se 0.25 0.25 0.81678 0.996 0.0
Gd1 Gd 0.25 0.25 0.6367 0.4 0.0
Nd1 Nd 0.25 0.25 0.63671 0.6 0.0
Se2 Se 0.75 0.25 0 0.8427 0.0
