#------------------------------------------------------------------------------
#$Date: 2024-01-03 17:45:20 +0200 (Wed, 03 Jan 2024) $
#$Revision: 288648 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/90/9009093.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9009093
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     NbO2
_chemical_formula_sum            'Nb O2'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   13.71
_cell_length_b                   13.71
_cell_length_c                   5.985
_cell_volume                     1124.965
_database_code_amcsd             0011772
_exptl_crystal_density_diffrn    5.900
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               9009093
_amcsd_formula_title             NbO2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2+y,1/2-x,1/2-z
+y,-x,-z
-y,1/2+x,1/4+z
1/2-y,+x,3/4+z
1/2+x,y,3/4-z
+x,1/2+y,1/4-z
1/2-x,1/2-y,1/2+z
-x,-y,+z
-y,x,-z
1/2-y,1/2+x,1/2-z
1/2+y,-x,3/4+z
+y,1/2-x,1/4+z
-x,1/2-y,1/4-z
1/2-x,-y,3/4-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nb1 0.11800 0.12500 0.48300
Nb2 0.13300 0.12500 0.01600
O1 0.98600 0.13000 0.00100
O2 0.97100 0.12500 0.50100
O3 0.28000 0.12600 0.99300
O4 0.26600 0.11800 0.50300
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2024-01-03T17:44:00+02:00
;
 Corrected atom site coordinates after consulting the updated version of AMCSD
 entry 0011772. Added the _cell_formula_units_Z data item.
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011772
