#------------------------------------------------------------------------------
#$Date: 2015-10-14 12:07:49 +0200 (Wed, 14 Oct 2015) $
#$Revision: 168306 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/10/72/2107207.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_2107207
loop_
_publ_author_name
'Abrahams, I.'
'Bruce, P.G.'
_publ_section_title
;
 Defect clustering in the superionic conductor lithium germanium vanadate
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              696
_journal_page_last               701
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ge0.5 Li3.5 O4 V0.5'
_chemical_name_systematic        'Li3.5 (Ge.5 V.5) 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                   10.8714
_cell_length_b                   6.2606
_cell_length_c                   5.1258
_cell_volume                     348.870
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Abrahams_ASBSDK_1991_1614.cif
_cod_data_source_block           Ge0.5Li3.5O4V0.5
_cod_original_cell_volume        348.8696
_cod_database_code               2107207
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
O1 O-2 0.3371 0.025 0.2196 1 0.0
Li3 Li+1 0.169 0.022 0.213 0.24 0.0
Li1 Li+1 0.4248 0.75 0.174 1 0.0
O3 O-2 0.0628 0.25 0.2787 1 0.0
Li4 Li+1 0.218 0.25 -0.028 0.25 0.0
O2 O-2 0.0869 0.75 0.1725 1 0.0
Li2 Li+1 0.1659 -0.0049 0.33 0.76 0.0
Ge1 Ge+4 0.4124 0.25 0.3367 0.5 0.0
V1 V+5 0.4124 0.25 0.3367 0.5 0.0
Li5 Li+1 0.026 0.533 0.447 0.126 0.0
