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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/60/2106091.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_2106091
loop_
_publ_author_name
'Faggiani, R.'
'Lock, C.J.L.'
'Poce, J.'
_publ_section_title
;
 The structure of ammonium pertechnetate at 295, 208 and 141K
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              231
_journal_page_last               233
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'H4 N O4 Tc'
_chemical_name_systematic        'N H4 Tc O4'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.775
_cell_length_b                   5.775
_cell_length_c                   13.252
_cell_volume                     441.962
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Faggiani_ACBCAR_1980_591.cif
_cod_data_source_block           H4N1O4Tc1
_cod_original_cell_volume        441.9625
_cod_original_formula_sum        'H4 N1 O4 Tc1'
_cod_database_code               2106091
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+3/4,x+1/4,z+1/4
-x+1/2,-y,z+1/2
y+3/4,-x+3/4,z+3/4
-x,-y,-z
y-3/4,-x-1/4,-z-1/4
x-1/2,y,-z-1/2
-y-3/4,x-3/4,-z-3/4
x+1/2,y+1/2,z+1/2
-y+5/4,x+3/4,z+3/4
-x+1,-y+1/2,z+1
y+5/4,-x+5/4,z+5/4
-x+1/2,-y+1/2,-z+1/2
y-1/4,-x+1/4,-z+1/4
x,y+1/2,-z
-y-1/4,x-1/4,-z-1/4
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
H1 H+1 0.109 0.224 0.593 1 0.0
Tc1 Tc+7 0 0.25 0.125 1 0.0
N1 N-3 0 0.25 0.625 1 0.0
O1 O-2 0.0991 0.4706 0.1985 1 0.0