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#$Date: 2015-10-05 12:22:14 +0300 (Mon, 05 Oct 2015) $
#$Revision: 159812 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/35/1533558.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_1533558
loop_
_publ_author_name
'Grytsiv, A.V.'
'Bauer, E.'
'Berger, S.'
'Hilscher, G.'
'Michor, H.'
'Paul, C.'
'Daoud-Aladine, A.'
'Roisnel, T.'
'Rogl, P.'
'Keller, L.'
'Noel, H.'
_publ_section_title
;
 Novel (Zn9)-cluster compounds RE2 Zn6 Ge3 (RE = La, Ce, Pr, Nd, Sm,Gd):
 crystal structure and physical properties
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              3053
_journal_page_last               3067
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'Ge3 Nd2 Zn6'
_chemical_name_systematic        'Nd2 Zn6 Ge3'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.6378
_cell_length_b                   7.6378
_cell_length_c                   4.0817
_cell_volume                     206.209
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Grytsiv_JCOMEL_2003_744.cif
_cod_data_source_block           Ge3Nd2Zn6
_cod_original_cell_volume        206.2093
_cod_database_code               1533558
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-x+y,-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
Zn1 Zn 0.1897 0 0 1 0.0
Nd1 Nd 0.3333 0.6667 0 1 0.0
Ge1 Ge 0.3827 0 0.5 1 0.0
Zn2 Zn 0.7112 0 0.5 1 0.0
