#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/67/1536732.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_1536732
loop_
_publ_author_name
'Emmerling, F.'
'Petri, D.'
'Roehr, C.'
_publ_section_title
;
 Neue Arsenide mit As(-)Ketten und -Ringen: Ba As2 und A(I) Ba2 As5 (A(I)
 = K, Rb)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2490
_journal_page_last               2501
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'As2 Ba'
_chemical_name_systematic        'Ba As2'
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 127.747
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   6.5503
_cell_length_b                   12.532
_cell_length_c                   8.038
_cell_volume                     521.739
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Emmerling_ZAACAB_2004_1652.cif
_cod_data_source_block           As2Ba1
_cod_original_cell_volume        521.7389
_cod_original_formula_sum        'As2 Ba1'
_cod_database_code               1536732
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-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
As2 As-1 0.2045 0.1498 0.5365 1 0.0
Ba1 Ba+2 0.1063 0.42148 0.2499 1 0.0
As5 As-1 0.5284 0.6112 0.285 1 0.0
As4 As-1 0.3873 0.3449 0 1 0.0
Ba2 Ba+2 0.5572 0.08433 0.0494 1 0.0
As1 As-1 0.0003 0.0172 0.0039 1 0.0
As3 As-1 0.2582 0.1567 0.2539 1 0.0
As6 As-1 0.6756 0.4254 0.3432 1 0.0
Ba3 Ba+2 0.8283 0.22845 0.6776 1 0.0
