#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007850.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_9007850
loop_
_publ_author_name
'Gougeon P'
'Potel M'
'Sergent M'
_publ_section_title
;
 Structure of Cs5Mo21Se23 containing Mo21 clusters
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2284
_journal_page_last               2287
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'Mo21 Se23 Cs5'
_chemical_name_mineral           Cs5Mo21Se23
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.6513
_cell_length_b                   9.6513
_cell_length_c                   29.939
_cell_volume                     2415.125
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,1/2-z
x-y,x,1/2+z
y,-x+y,-z
-y,x-y,z
x,y,1/2-z
-x,-y,1/2+z
x-y,x,-z
-x+y,-x,z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mol 0.51950 0.16530 0.52395 0.00760
Mo2 0.68470 0.18340 0.60037 0.00633
Mo3 0.51840 0.16470 0.67488 0.00633
Mo4 0.68780 0.18590 0.75000 0.00659
Se1 0.04400 0.33760 0.47042 0.00849
Se2 0.62360 -0.00630 0.09918 0.00963
Se3 0.70970 0.04390 0.67533 0.00963
Se4 0.62230 0.00030 0.25000 0.00861
Se5 0.66667 0.33333 0.45672 0.01013
Csl 0.66667 0.33333 0.16787 0.02014
Cs2 0.00000 0.00000 0.25000 0.02368
Cs3 0.00000 0.00000 0.09476 0.02457