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#$Date: 2015-09-19 00:37:54 +0300 (Sat, 19 Sep 2015) $
#$Revision: 158060 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/23/1532359.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_1532359
loop_
_publ_author_name
'Staub, U.'
'Ochiai, A.'
'Patterson, B.D.'
'Fauth, F.'
'Vaughan, G.M.B.'
'Soderholm, L.'
'Schulze-Briese, C.'
'Cross, J.O.'
'Shi, M.'
'Dooryhee, E.'
_publ_section_title
;
 Charge order and crystal structure below the first-order
 "metal-insulator" transition in Yb4 As3
;
_journal_name_full               'Physik (Berlin)'
_journal_page_first              284
_journal_page_last               288
_journal_volume                  318
_journal_year                    2002
_chemical_formula_sum            'As3 Yb4'
_chemical_name_systematic        'Yb4 As3'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   12.5591
_cell_length_b                   12.5591
_cell_length_c                   7.5282
_cell_volume                     1028.345
_citation_journal_id_ASTM        PHYBE3
_cod_data_source_file            Staub_PHYBE3_2002_805.cif
_cod_data_source_block           As3Yb4
_cod_database_code               1532359
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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
Yb1 Yb+3 0 0 0.3819 1 0.0
Yb2 Yb+2 0.2138 0.9245 0.0339 1 0.0
As1 As-3 0.9603 0.7989 0.162 1 0.0
