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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/1/53/60/1536005.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_1536005
loop_
_publ_author_name
'Eisenmann, B.'
'Jordan, H.'
'Schaefer, H.'
_publ_section_title
;
 Zintlphasen mit isolierten Si As4 - bzw. Ge As4 - Anionen: Darstellung
 und Struktur von Ba4 Si As4 und Ba4 Ge As4 sowie Sr4 Si As4 und Sr4 Ge
 As4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              74
_journal_page_last               80
_journal_volume                  475
_journal_year                    1981
_chemical_formula_sum            'As4 Ba4 Ge'
_chemical_name_systematic        'Ba4 (Ge As4)'
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.419
_cell_length_b                   13.419
_cell_length_c                   13.419
_cell_volume                     2416.353
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Eisenmann_ZAACAB_1981_1354.cif
_cod_data_source_block           As4Ba4Ge1
_cod_original_formula_sum        'As4 Ba4 Ge1'
_cod_database_code               1536005
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y+1/2,-x+1/2,-z+1/2
-x,-y,z
-y+1/2,x+1/2,-z+1/2
x,-y,-z
-y+1/2,-x+1/2,z+1/2
-x,y,-z
y+1/2,x+1/2,z+1/2
z,x,y
x+1/2,-z+1/2,-y+1/2
-z,-x,y
-x+1/2,z+1/2,-y+1/2
z,-x,-y
-x+1/2,-z+1/2,y+1/2
-z,x,-y
x+1/2,z+1/2,y+1/2
y,z,x
y,-z,-x
-z+1/2,-y+1/2,x+1/2
-y,z,-x
z+1/2,y+1/2,x+1/2
-y,-z,x
-z+1/2,y+1/2,-x+1/2
z+1/2,-y+1/2,-x+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
Ba1 Ba+2 0.4037 0.1442 0.3688 1 0.0
Ge2 Ge+4 0 0 0 1 0.0
Ba2 Ba+2 0.6435 0.6435 0.6435 1 0.0
As2 As-3 0.394 0.394 0.394 1 0.0
Ge1 Ge+4 0.25 0 0.5 1 0.0
As1 As-3 0.1497 0.1148 0.3954 1 0.0
