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#$Date: 2017-09-12 12:55:23 +0300 (Tue, 12 Sep 2017) $
#$Revision: 200779 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/05/2020520.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_2020520
loop_
_publ_author_name
'Lapasset, J.'
'Moret, J.'
_publ_section_title
;
 Structure de SrTeO₄ sur monocristal. Organisation de structures comportant
 des empilements de chaînes (TeO₄)ₙ. Dimorphisme de Na₂TeO₄
;
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1558
_journal_page_last               1562
_journal_paper_doi               10.1107/s0108270185008551
_journal_volume                  41
_journal_year                    1985
_chemical_formula_structural     'Sr Te O4'
_chemical_formula_sum            'O4 Sr Te'
_chemical_name_systematic        'Strontium tellurate'
_space_group_IT_number           60
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.605(3)
_cell_length_b                   13.181(4)
_cell_length_c                   5.003(2)
_cell_measurement_temperature    295.
_cell_volume                     369.6(3)
_cod_data_source_file            SrTeO4_Pbcn_DC287.cif
_cod_data_source_block           chateigner
_cod_original_cell_volume        369.62
_cod_original_formula_sum        'O4 Sr1 Te1'
_cod_database_code               2020520
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, -y, z+1/2'
2 '-x+1/2, y+1/2, z'
3 'x+1/2, y+1/2, -z+1/2'
4 '-x, -y, -z'
5 '-x, y, -z+1/2'
6 'x+1/2, -y+1/2, -z'
7 '-x+1/2, -y+1/2, z+1/2'
8 'x, y, z'
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_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
Sr1 Sr2+ 0.0077(4) 0.0085(4) 0.0147(4) 0 -.0060(9) 0
Te1 Te6+ 0.0068(3) 0.0067(3) 0.0046(3) 0 -.0005(6) 0
O1 O2- 0.0092(19) 0.0081(21) 0.0065(24) 0.0040(19) 0.0019(20) -.0013(22)
O2 O2- 0.0131(25) 0.0096(22) 0.0148(31) -.0030(19) -.0059(27) 0.0018(23)
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
_atom_site_attached_hydrogens
Sr1 Sr2+ 4 c 0 0.6655(1) 0.75 . 1. 0
Te1 Te6+ 4 c 0.5 0.4301(1) 0.75 . 1. 0
O1 O2- 8 d 0.3145(9) 0.5420(4) 0.5710(12) . 1. 0
O2 O2- 8 d 0.2847(11) 0.3333(4) 0.6322(15) . 1. 0
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2
Te6+ 6
O2- -2
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica, Section C: Crystal Structure Communications'
1985 41 1558 1562 ACSCEE
