#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/50/1535097.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_1535097
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            'Ge I2 La2'
_chemical_name_systematic        'La2 I2 Ge'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.451
_cell_length_b                   4.451
_cell_length_c                   10.868
_cell_volume                     186.464
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mattausch_ZAACAB_2005_1673.cif
_cod_data_source_block           Ge1I2La2
_cod_original_cell_volume        186.4642
_cod_original_formula_sum        'Ge1 I2 La2'
_cod_database_code               1535097
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,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
Ge1 Ge-4 1 0 0.5 1 0.0
I1 I-1 0.3333 0.6667 0.84441 1 0.0
La1 La+3 0.3333 0.6667 0.34534 1 0.0
