#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531982.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_1531982
loop_
_publ_author_name
'Poduska, K.M.'
'DiSalvo, F.J.'
'Min, K.'
'Halasyamani, P.S.'
_publ_section_title
;
 Structure determination of La3 Cu Ge S7 and La3 Cu Ge Se7
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              5
_journal_page_last               9
_journal_volume                  335
_journal_year                    2002
_chemical_formula_sum            'Cu Ge La3 Se7'
_chemical_name_systematic        'La3 Cu Ge Se7'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.725
_cell_length_b                   10.725
_cell_length_c                   6.133
_cell_volume                     610.939
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Poduska_JALCEU_2002_432.cif
_cod_data_source_block           Cu1Ge1La3Se7
_cod_original_cell_volume        610.9395
_cod_original_formula_sum        'Cu1 Ge1 La3 Se7'
_cod_database_code               1531982
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
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
Se3 Se-2 0.1014 0.5207 0.5884 1 0.0
La1 La+3 0.2267 0.3563 0.853 1 0.0
Cu1 Cu+1 0 0 0.8222 1 0.0
Se2 Se-2 0.9075 0.1618 0.8372 1 0.0
Ge1 Ge+4 0.3333 0.6667 0.4379 1 0.0
Se1 Se-2 0.3333 0.6667 0.059 1 0.0
