#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/27/7222744.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_7222744
loop_
_publ_author_name
'Emmerling, F.'
'Laengin, N.'
'Wendorff, M.'
'Pickhard, F.'
'Roehr, C.'
_publ_section_title
;
 Verbindungen mit Pentelid-Hanteln M2: AI11 M6 und AII11 M10 (A= Rb, Cs,
 Ba; M= Sb, Bi)
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              7
_journal_page_last               16
_journal_volume                  59
_journal_year                    2004
_chemical_formula_sum            'Ba1.5 Sb3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.528
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.68
_cell_length_b                   4.381
_cell_length_c                   12.571
_cell_volume                     632.430
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Emmerling_ZNBSEN_2004_1282.cif
_cod_data_source_block           Ba1.5Sb3
_cod_original_cell_volume        632.4303
_cod_database_code               7222744
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,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
Sb6 Sb 0.0562 0.25 0.4495 1 0.0
Sb2 Sb 0.40036 0.25 0.37222 1 0.0
Ba2 Ba 0.71396 0.25 0.4401 1 0.0
Sb4 Sb 0.4038 0.25 0.77274 1 0.0
Sb1 Sb 0.74499 0.25 0.72695 1 0.0
Sb5 Sb 0.0696 0.25 0.0525 1 0.0
Ba3 Ba 0.05784 0.25 0.76667 1 0.0
Ba1 Ba 0.37843 0.25 0.08992 1 0.0
Sb3 Sb 0.709 0.25 0.13185 1 0.0
