#------------------------------------------------------------------------------
#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/41/9014176.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_9014176
loop_
_publ_author_name
'Pontonnier, L.'
'Fruchart, D.'
'Soubeyroux, J.'
'Triantafillidis, G.'
'Berthier, Y.'
_publ_section_title
;
 Structural and magnetic behavour of Lu Fe2 Hx
 _cod_database_code 1008876
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              191
_journal_page_last               197
_journal_volume                  172
_journal_year                    1991
_chemical_formula_sum            'Fe4 H5.565 Lu2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.980
_cell_length_b                   10.980
_cell_length_c                   13.089
_cell_volume                     1366.601
_database_code_amcsd             0016743
_exptl_crystal_density_diffrn    8.441
_[local]_cod_cif_authors_sg_H-M  'R -3 m'
_[local]_cod_chemical_formula_sum_orig 'Lu2 Fe4 H5.565'
_cod_database_code               9014176
_amcsd_formula_title             'Fe2 H2.8 Lu'
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Lu1 0.00000 0.00000 0.41000 1.00000
Lu2 0.16000 -0.16000 0.46000 1.00000
Fe1 0.00000 0.00000 0.50000 1.00000
Fe2 0.50000 0.00000 0.50000 1.00000
Fe3 0.80000 0.00000 0.00000 1.00000
Fe4 0.91000 -0.91000 0.33333 1.00000
H1 0.93000 0.07000 0.42000 1.00000
H2 0.77000 0.23000 0.33333 0.59000
H3 0.25000 0.03000 0.89000 1.00000
H4 0.14000 0.11000 0.48000 0.06000