#------------------------------------------------------------------------------
#$Date: 2015-10-09 16:46:21 +0200 (Fri, 09 Oct 2015) $
#$Revision: 162305 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/51/1535114.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_1535114
loop_
_publ_author_name
'Mattausch, H.J.'
'Simon, A.'
'Zheng, C.'
'Ryazanov, M.'
_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            'Ge3 I5 La6'
_chemical_name_systematic        'La6 I5 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                 128.16
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.338
_cell_length_b                   4.423
_cell_length_c                   14.895
_cell_volume                     1001.730
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mattausch_ZAACAB_2005_1678.cif
_cod_data_source_block           Ge3I5La6
_cod_original_cell_volume        1001.73
_cod_database_code               1535114
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
I3 I-1 0 0 0 1 0.0
I1 I-1 0.631634 0 0.881156 1 0.0
I2 I-1 0.254585 0 0.764868 1 0.0
Ge1 Ge-4 0.12737 0 0.37505 1 0.0
La2 La+3 0.049279 0 0.670062 1 0.0
Ge2 Ge-4 0 0.5 0.5 1 0.0
La1 La+3 0.683745 0 0.552924 1 0.0
La3 La+3 0.432658 0 0.790733 1 0.0
