#------------------------------------------------------------------------------
#$Date: 2015-10-14 00:35:08 +0200 (Wed, 14 Oct 2015) $
#$Revision: 167864 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/91/1539110.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_1539110
loop_
_publ_author_name
'Simon, A.'
'von Schnering, H.G.'
'Schaefer, H.'
_publ_section_title
;
 Nb6 J11 - Eine Verbindung mit (Nb6 J8) - Gruppen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              295
_journal_page_last               310
_journal_volume                  355
_journal_year                    1967
_chemical_formula_sum            'I11 Nb6'
_chemical_name_systematic        'Nb6 I11'
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.299
_cell_length_b                   15.309
_cell_length_c                   13.558
_cell_volume                     2345.214
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Simon_ZAACAB_1967_1094.cif
_cod_data_source_block           I11Nb6
_cod_database_code               1539110
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z+1/2
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z-1/2
x,-y-1/2,z-1/2
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
Nb3 Nb+1 0.938 0.05 0.123 1 0.0
I6 I-1 0.25 0.25 0.9215 1 0.0
I4 I-1 0.305 0.992 0.938 1 0.0
Nb2 Nb+1 0.135 0.948 0.084 1 0.0
I2 I-1 0.027 0.109 0.77 1 0.0
I5 I-1 0.836 0.127 0.307 1 0.0
Nb1 Nb+1 0.106 0.101 0.975 1 0.0
I3 I-1 0.909 0.214 0.025 1 0.0
I1 I-1 0.159 0.112 0.178 1 0.0
