#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/39/8103935.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_8103935
loop_
_publ_author_name
'Stier, A.'
'Range, K.J.'
_publ_section_title
;
 Crystal structure of Samarium-tris-dicyanoaurate(I)-hydrate Sm (Au (C
 N)2)3 . 2.6 H2 O
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              51
_journal_page_last               51
_journal_volume                  212
_journal_year                    1997
_chemical_formula_sum            'C6 H5.2 Au3 N6 O2.6 Sm'
_chemical_name_systematic        'Sm (Au (C N)2)3 (H2 O)2.6'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.589
_cell_length_b                   6.589
_cell_length_c                   9.236
_cell_volume                     347.259
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Stier_ZEKRDZ_1997_1935.cif
_cod_data_source_block           C6H5.2Au3N6O2.6Sm1
_cod_original_cell_volume        347.2591
_cod_original_formula_sum        'C6 H5.2 Au3 N6 O2.6 Sm1'
_cod_database_code               8103935
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-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
O1 O-2 0.3916 0.3916 0 0.85 0.0
N1 N-3 0.2572 0 0.1948 1 0.0
Au1 Au+1 0.4972 0 0.5 1 0.0
C1 C+2 0.3624 0 0.3173 1 0.0
Sm1 Sm+3 0 0 0 1 0.0
