#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/84/1538433.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_1538433
loop_
_publ_author_name
'Onken, H.'
'Hahn, H.'
'Vierheilig, K.'
_publ_section_title
;
 Ueber Silicid- und Germanidchalkogenide des Zirkons und Hafniums
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              267
_journal_page_last               279
_journal_volume                  333
_journal_year                    1964
_chemical_formula_sum            'Hf Se Si'
_chemical_name_systematic        'Hf Si Se'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.63
_cell_length_b                   3.63
_cell_length_c                   8.32
_cell_volume                     109.632
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Onken_ZAACAB_1964_936.cif
_cod_data_source_block           Hf1Se1Si1
_cod_original_cell_volume        109.6318
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'Hf1 Se1 Si1'
_cod_database_code               1538433
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z
y,x,-z
-x+1/2,y+1/2,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z
x,-y,z
y+1/2,x+1/2,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
Hf1 Hf 0 0.5 0.259 1 0.0
Si1 Si 0 0 0 1 0.0
Se1 Se 0 0.5 0.615 1 0.0
