#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/37/1523786.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_1523786
loop_
_publ_author_name
'Harsta, A.'
_publ_section_title
;
 Crystal structure of kappa-Hf9 Mo4 Ni
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              43
_journal_page_last               47
_journal_volume                  35
_journal_year                    1981
_chemical_formula_sum            'Hf9 Mo4 Ni O0.84'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.655
_cell_length_b                   8.655
_cell_length_c                   8.4626
_cell_volume                     548.995
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Harsta_ACAPCT_1981_551.cif
_cod_data_source_block           Hf9Mo4Ni1O0.84
_cod_original_cell_volume        548.9952
_cod_original_formula_sum        'Hf9 Mo4 Ni1 O0.84'
_cod_database_code               1523786
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
-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
Hf2 Hf 0.20122 0.40244 0.0567 1 0.0
O1 O 0.5 0 0 0.28 0.0
Mo2 Mo 0.889 0.778 0.25 1 0.0
Ni1 Ni 0.3333 0.6667 0.25 1 0.0
Hf1 Hf 0.5424 0.0848 0.25 1 0.0
Mo1 Mo 0 0 0 1 0.0
