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#$Date: 2016-01-22 02:03:15 +0200 (Fri, 22 Jan 2016) $
#$Revision: 174719 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/45/9014575.cif $
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#
# 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_9014575
loop_
_publ_author_name
'Kulikov, L. M.'
'Semjonov-Kobzar, A. A.'
'Antonova, M. M.'
'Chechovsky, A. A.'
'Akselrud, L. G.'
'Skolozdra, R. V.'
'Fruchart, D.'
'Soubeyroux, J. L.'
_publ_section_title
;
X-ray and neutron diffraction studies of the formation and structure of
hydrogen intercalated 2H - Nb Se2 phases
;
_journal_coden_ASTM              JALCEU
_journal_issue                   1-2
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              11
_journal_page_last               15
_journal_paper_doi               10.1016/S0925-8388(96)02427-9
_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                   3.4461
_cell_length_b                   3.4461
_cell_length_c                   12.5810
_cell_volume                     129.390
_database_code_amcsd             0016622
_exptl_crystal_density_diffrn    6.438
_cod_duplicate_entry             1008741
_cod_database_code               9014575
_amcsd_formula_title             'H0.07 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 0.61550