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#$Date: 2015-10-10 06:27:29 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164693 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/68/1536819.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_1536819
loop_
_publ_author_name
'Fais, E.'
'Borrmann, H.'
'Mattausch, H.J.'
'Simon, A.'
_publ_section_title
;
 Kristallstrukturen zweier Modifikationen von In5 Mo18 O28 und deren
 Zwillingsbildung
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1178
_journal_page_last               1184
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'In5 Mo18 O28'
_chemical_name_systematic        'In5 Mo18 O28'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.966
_cell_length_b                   9.52
_cell_length_c                   9.896
_cell_volume                     2446.255
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Fais_ZAACAB_1995_1733.cif
_cod_data_source_block           In5Mo18O28
_cod_cif_authors_sg_Hall         '-P 2ac 2n (y,z,x)'
_cod_database_code               1536819
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y,-z
-x,-y,-z
x,-y-1/2,z-1/2
x-1/2,y-1/2,-z-1/2
-x-1/2,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
O6 O-2 0.75 0.97479 0.12393 1 0.0
Mo7 Mo+2 0.81006 1.12924 0.52632 1 0.0
Mo6 Mo+2 0.85756 0.88397 0.4626 1 0.0
O11 O-2 0.97305 0.74664 0.29714 1 0.0
Mo8 Mo+2 0.80975 0.86976 0.21975 1 0.0
O15 O-2 0.80499 0.76611 0.55323 1 0.0
O10 O-2 0.97395 1.23642 0.45273 1 0.0
Mo4 Mo+2 0.91242 0.86745 0.21656 1 0.0
O2 O-2 0.86099 0.7362 0.30989 1 0.0
O3 O-2 0.86271 1.25813 0.4364 1 0.0
O8 O-2 0.97002 0.98979 0.12198 1 0.0
Mo2 Mo+2 0.96323 0.87285 0.44796 1 0.0
In3 In+3 0.55075 0.45402 0.40877 1 0.0
Mo9 Mo+2 0.75 1.10868 0.28708 1 0.0
O4 O-2 0.86078 0.99057 0.11214 1 0.0
O1 O-2 0.75 1.02667 0.62188 1 0.0
O12 O-2 0.91703 1.23892 0.19535 1 0.0
Mo10 Mo+2 0.75 0.89118 0.45917 1 0.0
In2 In+3 0.64975 0.5105 0.3631 1 0.0
O16 O-2 0.91554 0.76313 0.5504 1 0.0
Mo5 Mo+2 0.85868 1.11465 0.28178 1 0.0
In1 In+3 0.75 0.4875 0.38608 1 0.0
O9 O-2 0.80604 1.23238 0.19399 1 0.0
O13 O-2 0.75 0.75287 0.30199 1 0.0
O7 O-2 0.9756 1.00461 0.6182 1 0.0
Mo3 Mo+2 0.91222 1.12282 0.52954 1 0.0
O14 O-2 0.75 1.24717 0.44539 1 0.0
Mo1 Mo+2 0.96495 1.11233 0.28668 1 0.0
O5 O-2 0.86001 1.0057 0.63414 1 0.0