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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/81/1528170.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_1528170
loop_
_publ_author_name
'Vrtis, M.L.'
'Jorgensen, J.D.'
'Hinks, D.G.'
_publ_section_title
;
 The structural phase transiton in the Re Cu6 compounds (RE= La, Ce, Pr,
 Nd)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              93
_journal_page_last               101
_journal_volume                  84
_journal_year                    1990
_chemical_formula_sum            'Cu6 Nd'
_chemical_name_systematic        'Nd Cu6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.162
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0568
_cell_length_b                   10.0933
_cell_length_c                   8.04
_cell_volume                     410.276
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Vrtis_JSSCBI_1990_320.cif
_cod_data_source_block           Cu6Nd1
_cod_original_cell_volume        410.2756
_cod_original_formula_sum        'Cu6 Nd1'
_cod_database_code               1528170
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Cu2 Cu 0.2442 0.1422 0.1466 1 0.0
Cu5 Cu 0.251 -0.4836 -0.1003 1 0.0
Cu3 Cu 0.2497 -0.2443 -0.1819 1 0.0
Cu6 Cu 0.5039 -0.1916 -0.4338 1 0.0
Cu1 Cu 0.0056 0.1902 0.4361 1 0.0
Cu4 Cu 0.2329 -0.4034 -0.4387 1 0.0
Nd1 Nd 0.2587 0.437 0.261 1 0.0
