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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/06/2310687.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310687
loop_
_publ_author_name
'Tsuda, K.'
'Tanaka, M.'
_publ_section_title
;
 Refinement of crystal structure parameters using convergent-beam electron
 diffraction: the low-temperature phase of SrTiO₃
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              7
_journal_page_last               19
_journal_paper_doi               10.1107/S010876739400560X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'O3 Sr Ti'
_chemical_name_systematic        'Sr Ti O3'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.511
_cell_length_b                   5.511
_cell_length_c                   7.796
_cell_volume                     236.773
_citation_journal_id_ASTM        ACACEQ
_cod_data_source_file            Tsuda_ACACEQ_1995_422.cif
_cod_data_source_block           O3Sr1Ti1
_cod_original_cell_volume        236.7733
_cod_original_formula_sum        'O3 Sr1 Ti1'
_cod_database_code               2310687
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+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
Sr1 Sr+2 0 0.5 0.25 1 0.0
O1 O-2 0 0 0.25 1 0.0
Ti1 Ti+4 0 0 0 1 0.0
O2 O-2 0.2451 0.7451 0 1 0.0
