#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/42/8104264.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_8104264
loop_
_publ_author_name
'Naray-Szabo, S.'
_publ_section_title
;
 Zur Struktur des Baddeleyites Zr O2
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              414
_journal_page_last               416
_journal_volume                  94
_journal_year                    1936
_chemical_formula_sum            'O2 Zr'
_chemical_name_systematic        'Zr O2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.46
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.22
_cell_length_b                   5.27
_cell_length_c                   5.38
_cell_volume                     145.988
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Naray-Szabo_ZEKGAX_1936_1221.cif
_cod_data_source_block           O2Zr1
_cod_original_cell_volume        145.9879
_cod_original_formula_sum        'O2 Zr1'
_cod_database_code               8104264
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
O2 O-2 0.288 0.75 0.21 1 0.0
Zr2 Zr+4 0.5 0 0.5 1 0.0
O1 O-2 0.2 0.22 0.21 1 0.0
Zr1 Zr+4 0 0 0 1 0.0
