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#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/01/1510169.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_1510169
loop_
_publ_author_name
'Jepsen, O.'
'Poettgen, R.'
'Simon, A.'
'Kremer, R.K.'
'Felser, C.'
'Henn, R.W.'
'Borrmann, H.'
_publ_section_title
;
 Crystal and electronic structures of Sc Au Ge, Ce Au Ge, and Lu Au Ge: a
 transition from two- to three-dimensional (Au Ge) polyanions
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              170
_journal_page_last               175
_journal_paper_doi               10.1016/0925-8388(95)02069-1
_journal_volume                  235
_journal_year                    1996
_chemical_formula_sum            'Au Ge Sc'
_chemical_name_systematic        'Sc Au Ge'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.3082
_cell_length_b                   4.3082
_cell_length_c                   6.8458
_cell_volume                     110.039
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            gold_226.cif
_cod_data_source_block           Au1Ge1Sc1
_cod_original_formula_sum        'Au1 Ge1 Sc1'
_cod_database_code               1510169
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
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
Sc1 Sc 0 0 0.0012 1 0.0
Ge1 Ge 0.3333 0.6667 0.298 1 0.0
Au1 Au 0.3333 0.6667 0.7 1 0.0
