#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/74/1527473.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_1527473
loop_
_publ_author_name
'Hahn, H.'
'Ness, P.'
_publ_section_title
;
 Ueber das System Zirkon/Selen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              37
_journal_page_last               49
_journal_volume                  302
_journal_year                    1959
_chemical_formula_sum            'Se0.66 Zr'
_chemical_name_systematic        'Zr Se0.66'
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.546
_cell_length_b                   3.546
_cell_length_c                   3.614
_cell_volume                     39.355
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hahn_ZAACAB_1959_38.cif
_cod_data_source_block           Se0.66Zr1
_cod_original_cell_volume        39.35467
_cod_original_formula_sum        'Se0.66 Zr1'
_cod_database_code               1527473
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
-y,-x,-z
-x+y,y,z
x,x-y,-z
-y,-x,z
-x+y,y,-z
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
Se1 Se 0.3333 0.6667 0.5 0.66 0.0
Zr1 Zr 0 0 0 1 0.0
