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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/11/7221145.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_7221145
loop_
_publ_author_name
'Krebs, B.'
'Sinram, D.'
_publ_section_title
;
 Darstellung, Struktur und Eigenschaften einer neuen Modifikation von Nb
 I5
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              12
_journal_page_last               16
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'I5 Nb'
_chemical_name_systematic        'Nb I5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.93
_cell_angle_beta                 116.17
_cell_angle_gamma                109.07
_cell_formula_units_Z            2
_cell_length_a                   7.591
_cell_length_b                   10.322
_cell_length_c                   6.977
_cell_volume                     455.353
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Krebs_ZNBAD2_1980_819.cif
_cod_data_source_block           I5Nb1
_cod_original_formula_sum        'I5 Nb1'
_cod_database_code               7221145
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
I1 I-1 0.38835 0.14923 -0.12708 1 0.0
I4 I-1 0.18661 0.44153 -0.07812 1 0.0
I2 I-1 0.00512 0.25115 0.3154 1 0.0
Nb1 Nb+5 0.22431 0.22421 0.10658 1 0.0
I5 I-1 0.18927 -0.04548 0.24832 1 0.0
I3 I-1 0.59212 0.33643 0.46177 1 0.0
