#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/52/1535254.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_1535254
loop_
_publ_author_name
'Stroebele, M.'
'Meyer, H.J.'
_publ_section_title
;
 Die Leiterstruktur von Li Nb6 Cl19
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2005
_journal_page_last               2010
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Cl19 Li Nb6'
_chemical_name_systematic        'Li (Nb6 Cl19)'
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   28.1455
_cell_length_b                   6.7835
_cell_length_c                   6.4139
_cell_volume                     1224.574
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Stroebele_ZAACAB_2001_90.cif
_cod_data_source_block           Cl19Li1Nb6
_cod_original_formula_sum        'Cl19 Li1 Nb6'
_cod_database_code               1535254
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
x+1/2,-y,-z
-x,y,-z
-x,-y,-z
x-1/2,y,-z
-x-1/2,y,z
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
Cl3 Cl-1 0.44891 0.5 0.1611 1 0.0
Cl5 Cl-1 0.25 0.2613 0.3605 1 0.0
Cl7 Cl-1 0.44392 0 0.1871 1 0.0
Cl4 Cl-1 0.25 0.5 -0.0833 1 0.0
Cl1 Cl-1 0.34551 0.5 0.5603 1 0.0
Cl2 Cl-1 0.34913 0.246 0.01894 1 0.0
Nb1 Nb+3 0.31033 0.5 0.21322 1 0.0
Nb2 Nb+3 0.39429 0.28582 0.34115 1 0.0
Cl8 Cl-1 0.44434 0.25412 0.64021 1 0.0
Cl6 Cl-1 0.34635 0 0.4848 1 0.0
Li1 Li+1 0.5 0 0.5 1 0.0
