#------------------------------------------------------------------------------
#$Date: 2016-07-07 11:09:50 +0300 (Thu, 07 Jul 2016) $
#$Revision: 184280 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/64/9016404.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_9016404
loop_
_publ_author_name
'Zachariasen, W.'
_publ_section_title
;
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
 Verbindungen ABO3
 _cod_database_code 1010585
;
_journal_name_full
'Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo'
_journal_page_first              1
_journal_page_last               165
_journal_volume                  1
_journal_year                    1928
_chemical_formula_sum            'O3 Sc2'
_space_group_IT_number           199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.79
_cell_length_b                   9.79
_cell_length_c                   9.79
_cell_volume                     938.314
_database_code_amcsd             0017466
_exptl_crystal_density_diffrn    3.905
_cod_duplicate_entry             1010585
_cod_original_formula_sum        'Sc2 O3'
_cod_database_code               9016404
_amcsd_formula_title             'O3 Sc2'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-z,-x,1/2+y
-z,1/2-x,+y
-z,1/2+x,1/2-y
1/2-z,+x,-y
1/2+z,1/2-x,-y
+z,-x,1/2-y
z,x,y
1/2+z,1/2+x,1/2+y
1/2+y,1/2-z,-x
+y,-z,1/2-x
1/2-y,-z,1/2+x
-y,1/2-z,+x
-y,1/2+z,1/2-x
1/2-y,+z,-x
y,z,x
1/2+y,1/2+z,1/2+x
-x,1/2+y,1/2-z
1/2-x,+y,-z
1/2+x,1/2-y,-z
+x,-y,1/2-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sc1 0.25000 0.25000 0.25000
Sc2 0.02100 0.00000 0.25000
Sc3 0.54200 0.00000 0.25000
O1 0.12500 0.12500 0.37500
O2 0.12500 0.37500 0.37500