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#$Date: 2015-10-09 16:37:03 +0200 (vie 09 de oct de 2015) $
#$Revision: 162293 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/51/1535103.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_1535103
loop_
_publ_author_name
'Mattausch, H.J.'
'Zheng, C.'
'Ryazanov, M.'
'Simon, A.'
_publ_section_title
;
 Reduced lanthanum halides with Ge as interstitials: La2 I2 Ge, La2 I2
 Ge2, La3 Cl2 Ge3, La3 Br2 Ge3, La3 I3 Ge, La6 I5 Ge3 and La(7+x) I12 Ge
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              302
_journal_page_last               308
_journal_volume                  631
_journal_year                    2005
_chemical_formula_sum            'Br2 Ge3 La3'
_chemical_name_systematic        'La3 Br2 Ge3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.622
_cell_length_b                   4.3263
_cell_length_c                   10.897
_cell_volume                     869.366
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mattausch_ZAACAB_2005_1675.cif
_cod_data_source_block           Br2Ge3La3
_cod_original_cell_volume        869.3661
_cod_database_code               1535103
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
La3 La+3 0.17767 0.5 0.14681 1 0.0
Ge1 Ge-2 0.09302 0 0.28038 1 0.0
La1 La+3 0.46924 0 0.16934 1 0.0
La2 La+3 0.38766 0 0.51113 1 0.0
Ge3 Ge-2 -0.02325 0 0.3838 1 0.0
Br2 Br-1 0.29964 0 0.13033 1 0.0
Ge2 Ge-2 0.0678 0 0.04408 1 0.0
Br1 Br-1 0.27526 0.5 0.39131 1 0.0
