#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/44/1534410.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_1534410
loop_
_publ_author_name
'Gascoin, F.'
'Sevov, S.C.'
_publ_section_title
;
 Cubane with a handle: ((In3 As4 Nb) - As)(7-) in Cs7 Nb In3 As5
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              1232
_journal_page_last               1234
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'As5 Cs7 In3 Nb'
_chemical_name_systematic        'Cs7 ((In3 As4 Nb) As)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.421
_cell_angle_beta                 85.961
_cell_angle_gamma                86.421
_cell_formula_units_Z            2
_cell_length_a                   8.8101
_cell_length_b                   9.6639
_cell_length_c                   14.7484
_cell_volume                     1246.522
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Gascoin_ACIEF5_2002_491.cif
_cod_data_source_block           As5Cs7In3Nb1
_cod_original_formula_sum        'As5 Cs7 In3 Nb1'
_cod_database_code               1534410
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
Cs2 Cs+1 0.73113 0.74711 0.74731 1 0.0
Cs1 Cs+1 0.69442 1.07789 0.88562 1 0.0
As3 As-3 0.38382 0.79702 0.87593 1 0.0
As2 As-3 0.41106 0.7028 0.61003 1 0.0
In3 In+1 0.0679 0.8095 0.86764 1 0.0
Cs4 Cs+1 0.18962 1.18422 0.87486 1 0.0
As1 As-3 1.08207 0.54781 0.78803 1 0.0
In2 In+1 0.09264 0.72253 0.62426 1 0.0
As4 As-3 0.04384 0.98992 0.70236 1 0.0
Cs5 Cs+1 0.24413 1.00898 0.46576 1 0.0
Cs6 Cs+1 0.30208 1.33425 0.60105 1 0.0
Cs7 Cs+1 0.74529 0.50579 0.9724 1 0.0
As5 As-3 0.5121 0.40093 0.80822 1 0.0
In1 In+1 0.36764 0.9487 0.70488 1 0.0
Cs3 Cs+1 0.81689 0.37115 0.63789 1 0.0
Nb1 Nb+5 0.35407 0.60519 0.77202 1 0.0
