#------------------------------------------------------------------------------
#$Date: 2015-10-09 23:20:19 +0300 (Fri, 09 Oct 2015) $
#$Revision: 163119 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/16/4031602.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_4031602
loop_
_publ_author_name
'Burgemeister, K.'
'Drewes, D.'
'Limanski, E.M.'
'Kueper, I.'
'Krebs, B.'
_publ_section_title
;
 Formation of Large Clusters in the Reaction of Lanthanide Cations with
 Heptamolybdate
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              2690
_journal_page_last               2694
_journal_volume                  2004
_journal_year                    2004
_chemical_formula_sum            'Gd4 Mo9'
_chemical_name_systematic
;
(Gd4 (Mo O4) (H2 O)16 (Mo7 O24)4) C13.33 N3.33 O26.65
;
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   35.487
_cell_length_b                   35.487
_cell_length_c                   35.487
_cell_volume                     44689.743
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Burgemeister_EJICFO_2004_1407.cif
_cod_data_source_block           Gd4Mo9
_cod_original_cell_volume        44689.74
_cod_database_code               4031602
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y+1/4,-x+3/4,-z+1/4
-x,-y+1/2,z
-y+3/4,x+3/4,-z+1/4
x,-y,-z+1/2
-y+1/4,-x+3/4,z+3/4
-x,y+1/2,-z+1/2
y+3/4,x+3/4,z+3/4
z,x,y
x+1/4,-z+3/4,-y+1/4
-z,-x+1/2,y
-x+3/4,z+3/4,-y+1/4
z,-x,-y+1/2
-x+1/4,-z+3/4,y+3/4
-z,x+1/2,-y+1/2
x+3/4,z+3/4,y+3/4
y,z,x
y,-z,-x+1/2
-z+1/4,-y+3/4,x+3/4
-y,z+1/2,-x+1/2
z+1/4,y+1/4,x+1/4
-y+1/2,-z,x+1/2
-z+1/4,y+1/4,-x+3/4
z+3/4,-y+1/4,-x+3/4
x+1/2,y+1/2,z+1/2
y+3/4,-x+5/4,-z+3/4
-x+1/2,-y+1,z+1/2
-y+5/4,x+5/4,-z+3/4
x+1/2,-y+1/2,-z+1
-y+3/4,-x+5/4,z+5/4
-x+1/2,y+1,-z+1
y+5/4,x+5/4,z+5/4
z+1/2,x+1/2,y+1/2
x+3/4,-z+5/4,-y+3/4
-z+1/2,-x+1,y+1/2
-x+5/4,z+5/4,-y+3/4
z+1/2,-x+1/2,-y+1
-x+3/4,-z+5/4,y+5/4
-z+1/2,x+1,-y+1
x+5/4,z+5/4,y+5/4
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1
-z+3/4,-y+5/4,x+5/4
-y+1/2,z+1,-x+1
z+3/4,y+3/4,x+3/4
-y+1,-z+1/2,x+1
-z+3/4,y+3/4,-x+5/4
z+5/4,-y+3/4,-x+5/4
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
Gd1 Gd+3 0.332702 -0.081212 0.934133 1 0.0
Mo2 Mo+6 0.34797 -0.06791 1.04722 1 0.0
Mo1 Mo+6 0.25 -0.125 1 1 0.0
Mo3 Mo+6 0.27634 -0.06521 1.10295 1 0.0
