#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/67/2106748.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_2106748
loop_
_publ_author_name
'Arakcheeva, A.V.'
'Chapuis, G.'
'Birkedal, H.'
'Grinevich, V.V.'
'Pattison, P.'
_publ_section_title
;
 The commensurate composite sigma-structure of beta-tantalum
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              324
_journal_page_last               336
_journal_volume                  59
_journal_year                    2003
_chemical_formula_sum            Ta
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            30
_cell_length_a                   10.211
_cell_length_b                   10.211
_cell_length_c                   5.3064
_cell_volume                     553.269
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Arakcheeva_ASBSDK_2003_1649.cif
_cod_data_source_block           Ta1
_cod_original_cell_volume        553.2693
_cod_original_formula_sum        Ta1
_cod_database_code               2106748
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
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
Ta4 Ta 0.1033 -0.6033 0.235 1 0.0
Ta2 Ta 0.7598 0.0677 0.235 1 0.0
Ta3 Ta 0.0343 0.1267 0.255 1 0.0
Ta1 Ta 0.5 0 0.228 1 0.0
Ta6 Ta 0.8196 0.3196 0.491 1 0.0
Ta5 Ta 0.8142 0.3142 0.003 1 0.0
