#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/53/1535324.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_1535324
loop_
_publ_author_name
'Michaelis, C.'
'Borrmann, H.'
'Mattausch, H.J.'
'Simon, A.'
_publ_section_title
;
 LnHal2Hn - Neue Phasen in den ternaeren Systemen Ln/Hal/H. I. Strukturen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              29
_journal_page_last               33
_journal_volume                  607
_journal_year                    1992
_chemical_formula_sum            'Br2 D0.9 La'
_chemical_name_systematic        'La Br2 D0.90'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.104
_cell_length_b                   4.104
_cell_length_c                   13.969
_cell_volume                     203.756
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Michaelis_ZAACAB_1992_86.cif
_cod_data_source_block           D0.9Br2La1
_cod_original_cell_volume        203.7561
_cod_original_formula_sum        'D0.9 Br2 La1'
_cod_database_code               1535324
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
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
La1 La+3 0 0 0.25 1 0.0
Br1 Br-1 0.3333 0.6667 0.3894 1 0.0
D1 D-1 0.3333 0.6667 0.75 1 0.0
