#------------------------------------------------------------------------------
#$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/52/9015288.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_9015288
loop_
_publ_author_name
'Kulikov, L.'
'Semjonov-Kobzar A'
'Antonova, M.'
'Chechovsky, A.'
'Akselrud, L.'
'Skolozdra, R.'
'Fruchart, D.'
'Soubeyroux, J.'
_publ_section_title
;
 X-ray and neutron diffraction studies of the formation and structure of
 hydrogen intercalated 2H - Nb Se2 phases
 _cod_database_code 1008737
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              11
_journal_page_last               15
_journal_volume                  244
_journal_year                    1996
_chemical_formula_sum            'Nb Se2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.4347
_cell_length_b                   3.4347
_cell_length_c                   12.9735
_cell_volume                     132.546
_database_code_amcsd             0016618
_exptl_crystal_density_diffrn    6.285
_cod_duplicate_entry             1008737
_cod_database_code               9015288
_amcsd_formula_title             'D0.41 Nb Se2'
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nb1 0.33333 0.66667 0.25000
Se1 0.33333 0.66667 0.61620
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016618
