#------------------------------------------------------------------------------
#$Date: 2015-10-20 19:46:33 +0300 (Tue, 20 Oct 2015) $
#$Revision: 169374 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/01/1540176.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_1540176
loop_
_publ_author_name
'Jeitschko, W.'
'Dietrich, L.H.'
_publ_section_title
;
 Technetium arsenide Tc2 As3: A compound with a superstructure of Mo2 As3
 attributed to differences in metalmetal bonding
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              59
_journal_page_last               67
_journal_volume                  57
_journal_year                    1985
_chemical_formula_sum            'As3 Tc2'
_chemical_name_systematic        'Tc2 As3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.69
_cell_angle_beta                 102.03
_cell_angle_gamma                104.31
_cell_formula_units_Z            4
_cell_length_a                   6.574
_cell_length_b                   6.632
_cell_length_c                   8.023
_cell_volume                     327.280
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Jeitschko_JSSCBI_1985_1667.cif
_cod_data_source_block           As3Tc2
_cod_original_cell_volume        327.2802
_cod_database_code               1540176
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
As5 As-3 0.76438 0.43386 0.61596 1 0.0
As4 As-3 0.13992 0.86792 0.68559 1 0.0
Tc2 Tc+4 0.46559 0.13475 0.63453 1 0.0
As3 As-3 0.62869 0.845 0.68028 1 0.0
Tc1 Tc+4 0.91439 0.12485 0.62598 1 0.0
Tc4 Tc+4 0.08892 0.57575 0.85861 1 0.0
Tc3 Tc+4 0.62816 0.57273 0.86623 1 0.0
As2 As-3 0.0325 0.18744 0.95013 1 0.0
As1 As-3 0.54274 0.20064 0.96148 1 0.0
As6 As-3 0.26369 0.41081 0.64958 1 0.0
