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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/55/1535592.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_1535592
loop_
_publ_author_name
'Mudring, A.V.'
'Jansen, M.'
'Daniels, J.'
'Romero, A.H.'
'Ramalho, J.P.P.'
'Kraemer, S.'
'Mehring, M.'
'Parrinello, M.'
_publ_section_title
;
 Cesiumauride ammonia(1/1), Cs Au * (N H3): a crystalline analogue to
 alkali metals dissolved in ammonia?
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              120
_journal_page_last               124
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'Au Cs H3 N'
_chemical_name_systematic        '(Cs Au) (N H3)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.37
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.211
_cell_length_b                   7.0355
_cell_length_c                   16.826
_cell_volume                     833.816
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Mudring_ACIEF5_2002_440.cif
_cod_data_source_block           H3Au1Cs1N1
_cod_original_cell_volume        833.8159
_cod_original_formula_sum        'H3 Au1 Cs1 N1'
_cod_database_code               1535592
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
H3 H+1 0.7519 -0.0321 0.2988 1 0.0
N3 N-3 0.775 0.005 0.25 1 0.0
Au1 Au-1 0.90025 0.12477 0.5505 1 0.0
Cs2 Cs+1 0.57222 -0.12468 0.39442 1 0.0
H2 H+1 0.8847 -0.0505 0.2428 1 0.0
H1 H+1 0.7879 0.1335 0.2493 1 0.0
