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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/16/9011647.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011647
loop_
_publ_author_name
'Cox, D. E.'
'Samuelsen, E. J.'
'Ceckurts, K. H.'
_publ_section_title
;
 Neutron-Diffraction determination of the crystal structure and magnetic form
 factor of gamma-oxygen
 Sample: at T = 46 K
 Note: gamma phase, stable between 44 K & 55 K
;
_journal_name_full               'Physical Review B'
_journal_page_first              3102
_journal_page_last               3111
_journal_paper_doi               10.1103/PhysRevB.7.3102
_journal_volume                  7
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            O2
_chemical_name_common            Oxygen
_chemical_name_mineral           Oxygen
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.78
_cell_length_b                   6.78
_cell_length_c                   6.78
_cell_formula_units_Z            8
_cell_volume                     311.666
_database_code_amcsd             0015160
_diffrn_ambient_temperature      46
_exptl_crystal_density_diffrn    1.364
_cod_original_sg_symbol_H-M      'P m 3 n'
_cod_original_formula_sum        O.25
_cod_database_code               9011647
loop_
_space_group_symop_operation_xyz
x,y,z
z,-x,y
-y,z,-x
x,-y,z
-z,x,-y
y,-z,x
-x,y,-z
1/2+x,1/2-z,1/2-y
1/2-z,1/2+y,1/2+x
1/2+y,1/2-x,1/2-z
1/2-x,1/2+z,1/2+y
1/2+z,1/2-y,1/2-x
1/2-y,1/2+x,1/2+z
1/2+x,1/2+z,1/2+y
1/2-z,1/2-y,1/2-x
1/2+y,1/2+x,1/2+z
1/2-x,1/2-z,1/2-y
1/2+z,1/2+y,1/2+x
1/2-y,1/2-x,1/2-z
z,x,-y
-y,-z,x
x,y,-z
-z,-x,y
y,z,-x
-x,-y,z
-z,x,y
y,-z,-x
-x,y,z
z,-x,-y
-y,z,x
x,-y,-z
1/2-x,1/2+z,1/2-y
1/2+z,1/2-y,1/2+x
1/2-y,1/2+x,1/2-z
1/2+x,1/2-z,1/2+y
1/2-z,1/2+y,1/2-x
1/2+y,1/2-x,1/2+z
1/2-x,1/2-z,1/2+y
1/2+z,1/2+y,1/2-x
1/2-y,1/2-x,1/2+z
1/2+x,1/2+z,1/2-y
1/2-z,1/2-y,1/2+x
1/2+y,1/2+x,1/2-z
-z,-x,-y
y,z,x
-x,-y,-z
z,x,y
-y,-z,-x
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
O1 0.13110 0.13110 0.13110 -0.01800 -0.01800 -0.01800
O2 0.05860 0.10630 0.09260 -0.00380 -0.00790 -0.01580
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
O1 0.04360 0.04360 0.04360 0.25000
O2 0.03400 0.25160 0.41510 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 952
2 AMCSD 0015160
