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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/53/9015311.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015311
loop_
_publ_author_name
'Schobinger-Papamantellos P'
'Buschow, K.'
'de Boer, F.'
'Ritter, C.'
'Isnard, O.'
'Fauth, F.'
_publ_section_title
;
 The Fe ordering in R Fe6 Ge6 compounds with non-magnetic R (R = Y, Lu, Hf)
 studied by neutron diffraction and magnetic measurements
 _cod_database_code 1008886
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              59
_journal_page_last               65
_journal_volume                  267
_journal_year                    1998
_chemical_formula_sum            'Fe3 Ge3 Y0.5'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.11975
_cell_length_b                   17.72995
_cell_length_c                   5.11821
_cell_formula_units_Z            8
_cell_volume                     736.832
_database_code_amcsd             0016753
_exptl_crystal_density_diffrn    7.749
_cod_duplicate_entry             1008886
_cod_original_formula_sum        'Y.5 Ge3 Fe3'
_cod_database_code               9015311
_amcsd_formula_title             'Fe6 Ge6 Y'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y1 0.00000 0.12920 0.25000 0.76000
Y2 0.00000 0.12080 0.25000 0.24000
Ge1 0.00000 0.03730 0.75000 1.00000
Ge2 0.50000 0.03730 0.75000 1.00000
Ge3 0.00000 0.21030 0.75000 1.00000
Ge4 0.50000 0.20510 0.75000 1.00000
Ge5 0.34690 0.12370 0.25000 0.76000
Ge6 0.84690 0.12630 0.25000 0.24000
Fe1 0.25000 0.25000 0.00000 1.00000
Fe2 0.25170 0.00000 0.00000 1.00000
Fe3 0.25110 0.12610 0.75000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016753
