#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/58/1525860.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_1525860
loop_
_publ_author_name
'Dechamps, M.'
'Dubertret, A.'
'Lehr, P.'
_publ_section_title
;
 Description de la structure cristallographique d'une phase nouvelle
 omega' (O) observee dans les alliages titane-zirconium-oxygene
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, 
Sciences Chimiques (1966-)
;
_journal_page_first              444
_journal_page_last               447
_journal_volume                  274
_journal_year                    1972
_chemical_formula_sum            'O Ti2 Zr'
_chemical_name_systematic        'Ti2 Zr O'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.838
_cell_length_b                   8.147
_cell_length_c                   6.107
_cell_volume                     240.709
_citation_journal_id_ASTM        CHDCAQ
_cod_data_source_file            Dechamps_CHDCAQ_1972_1733.cif
_cod_data_source_block           O1Ti2Zr1
_cod_original_cell_volume        240.7085
_cod_original_formula_sum        'O1 Ti2 Zr1'
_cod_database_code               1525860
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-y+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
O1 O 0.5 0.25 0 1 0.0
Zr2 Zr 0 0 0.5 1 0.0
Ti1 Ti 0 0.338 0.254 1 0.0
Zr1 Zr 0 0 0 1 0.0
