#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/71/1527140.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1527140
loop_
_publ_author_name
'Berger, R.'
_publ_section_title
;
 Structure refinement of Ti5 Sb3 from single-crystal data
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              889
_journal_page_last               890
_journal_volume                  31
_journal_year                    1977
_chemical_formula_sum            'Sb3 Ti5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2173
_cell_length_b                   8.3281
_cell_length_c                   7.1459
_cell_volume                     608.050
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Berger_ACAPCT_1977_791.cif
_cod_data_source_block           Sb3Ti5
_cod_original_cell_volume        608.0496
_cod_database_code               1527140
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-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
Ti3 Ti 0.28158 0.25 0.3316 1 0.0
Ti4 Ti 0.00533 0.25 0.52152 1 0.0
Ti1 Ti 0.05705 0.05823 0.20174 1 0.0
Sb1 Sb 0.32279 0.49075 0.06612 1 0.0
Sb2 Sb 0.47625 0.25 0.58965 1 0.0
Ti2 Ti 0.23539 0.25 0.81717 1 0.0
