#------------------------------------------------------------------------------
#$Date: 2016-01-09 12:55:16 +0100 (Sat 09 de Jan de 2016) $
#$Revision: 173882 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/19/1541989.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_1541989
loop_
_publ_author_name
'Ghammami, S.'
_publ_section_title
;
 The crystal and molecular structure of bis(tetramethylammonium)
 hexamolybdate(VI)
;
_journal_name_full               'Crystal Research and Technology'
_journal_page_first              913
_journal_page_last               917
_journal_volume                  38
_journal_year                    2003
_chemical_formula_sum            'C8 H24 Mo6 N2 O19'
_chemical_name_systematic        '((C H3)4 N)2 (Mo6 O19)'
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.0176
_cell_length_b                   10.0176
_cell_length_c                   14.089
_cell_volume                     1224.442
_citation_journal_id_ASTM        CRTEDF
_cod_data_source_file            Ghammami_CRTEDF_2003_424.cif
_cod_data_source_block           C8H24Mo6N2O19
_cod_database_code               1541989
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
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
O4 O-2 0 0 0 1 0.0
H4 H-1 0.3007 0.7406 0.0076 1 0.0
O1 O-2 0.6228 0.8544 0.16134 1 0.0
H2 H-1 0.1585 0.7115 -0.1219 1 0.0
O2 O-2 0.7151 0.7604 -0.001 1 0.0
C1 C+4 0.1747 0.6176 -0.1538 1 0.0
H1 H-1 0.1703 0.6127 -0.2193 1 0.0
H3 H-1 0.0808 0.5035 -0.1399 1 0.0
O3 O-2 0.8911 0.8242 0.15311 1 0.0
Mo1 Mo+6 0.7835 0.9134 0.095495 1 0.0
C2 C+4 0.3333 0.6667 -0.0123 1 0.0
N1 N-3 0.3333 0.6667 -0.1185 1 0.0
