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#$Date: 2015-10-14 17:40:32 +0200 (Wed 14 de Oct de 2015) $
#$Revision: 168876 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/43/4344364.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_4344364
loop_
_publ_author_name
'Collins, B.T.'
'Tsai, P.-P.'
'Fine, S.M.'
'Potenza, J.A.'
'Greenblatt, M.'
_publ_section_title
;
 Crystallographic and magnetic studies of an unusual Mo3 O13 cluster
 compound, Na2 In2 Mo5 O16
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2444
_journal_page_last               2447
_journal_volume                  28
_journal_year                    1989
_chemical_formula_sum            'In2 Mo5 Na2 O16'
_chemical_name_systematic        'Na2 In2 (Mo3 O8) (Mo O4)2'
_space_group_IT_number           156
_symmetry_space_group_name_Hall  'P 3 -2"'
_symmetry_space_group_name_H-M   'P 3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.7856
_cell_length_b                   5.7856
_cell_length_c                   11.266
_cell_volume                     326.586
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Collins_INOCAJ_1989_981.cif
_cod_data_source_block           In2Mo5Na2O16
_cod_original_cell_volume        326.5857
_cod_database_code               4344364
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,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
Na1 Na+1 0 0 -0.001 1 0.0
O3 O-2 0.6667 0.3333 0.972 1 0.0
Na3 Na+1 0.6667 0.3333 0.771 0.42 0.0
In2 In+3 0 0 -0.29369 1 0.0
O1 O-2 0.342 0.171 0.5988 1 0.0
Mo2 Mo+6 0.3333 0.6667 -0.1274 1 0.0
O7 O-2 0.3333 0.6667 0.022 1 0.0
O5 O-2 0.1753 0.3506 0.3967 1 0.0
O8 O-2 0.6667 0.3333 0.365 1 0.0
Mo3 Mo+4 0.51592 -0.51592 -0.50791 1 0.0
O2 O-2 0.1619 0.3238 0.8289 1 0.0
Mo1 Mo+6 0.6667 0.3333 0.1257 1 0.0
Na2 Na+1 0.3333 0.6667 0.227 0.62 0.0
In1 In+3 0 0 0.292 1 0.0
O4 O-2 0.3333 0.6667 0.5789 1 0.0
O6 O-2 0.324 0.162 0.166 1 0.0
