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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/72/2107205.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107205
loop_
_publ_author_name
'Abrahams, I.'
'Bruce, P.G.'
'David, W.I.F.'
'West, A.R.'
_publ_section_title
;
 A re-examination of the lisicon structure using highresolution powder
 neutron diffraction: Evidence for defect clustering
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              457
_journal_page_last               462
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'Ge Li3 O4 Zn0.5'
_chemical_name_systematic        'Li3 Zn.5 (Ge O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8523
_cell_length_b                   6.27431
_cell_length_c                   5.15807
_cell_volume                     351.217
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Abrahams_ASBSDK_1989_696.cif
_cod_data_source_block           Ge1Li3O4Zn0.5
_cod_original_cell_volume        351.2166
_cod_original_formula_sum        'Ge1 Li3 O4 Zn0.5'
_cod_database_code               2107205
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Zn2 Zn+2 0.141 -0.039 0.356 0.202 0.0
Zn1 Zn+2 0.4298 0.75 0.183 0.095 0.0
Li5 Li+1 0 0 0.5 0.081 0.0
O1 O-2 0.336 0.023 0.2171 1 0.0
O3 O-2 0.0652 0.25 0.2797 1 0.0
O2 O-2 0.0875 0.75 0.1714 1 0.0
Li3 Li+1 0.167 0.03 0.212 0.156 0.0
Li4 Li+1 0.204 0.206 -0.009 0.21 0.0
Li2 Li+1 0.141 -0.039 0.356 0.647 0.0
Ge1 Ge+4 0.4133 0.25 0.3335 1 0.0
Li1 Li+1 0.4298 0.75 0.183 0.905 0.0
