#------------------------------------------------------------------------------
#$Date: 2015-09-09 22:21:55 +0200 (Wed 09 de Sep de 2015) $
#$Revision: 155764 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530629.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_1530629
loop_
_publ_author_name
'Quintana, P.'
'Howie, R.A.'
'Leal, J.'
'West, A.R.'
_publ_section_title
;
 Li2 Zr O3: A New Polymorph with the alpha- Li Fe O2 Structure
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1385
_journal_page_last               1389
_journal_volume                  24
_journal_year                    1989
_chemical_formula_sum            'Li4 O8 Zr2.62'
_chemical_name_systematic        'Li5.52 Zr2.62 O8'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.265
_cell_length_b                   4.265
_cell_length_c                   9.0149
_cell_volume                     163.983
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Quintana_MRBUAC_1989_1869.cif
_cod_data_source_block           Li4O8Zr2.62
_cod_database_code               1530629
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x,-y,-z
y+1/4,x+3/4,-z+1/4
-x+1/2,y,-z+1/2
-y+1/4,-x+1/4,-z+3/4
-x,-y,-z
y-1/4,-x-3/4,-z-1/4
x-1/2,y,-z-1/2
-y-1/4,x-1/4,-z-3/4
-x,y,z
-y-1/4,-x-3/4,z-1/4
x-1/2,-y,z-1/2
y-1/4,x-1/4,z-3/4
x+1/2,y+1/2,z+1/2
-y+3/4,x+5/4,z+3/4
-x+1,-y+1/2,z+1
y+3/4,-x+3/4,z+5/4
x+1/2,-y+1/2,-z+1/2
y+3/4,x+5/4,-z+3/4
-x+1,y+1/2,-z+1
-y+3/4,-x+3/4,-z+5/4
-x+1/2,-y+1/2,-z+1/2
y+1/4,-x-1/4,-z+1/4
x,y+1/2,-z
-y+1/4,x+1/4,-z-1/4
-x+1/2,y+1/2,z+1/2
-y+1/4,-x-1/4,z+1/4
x,-y+1/2,z
y+1/4,x+1/4,z-1/4
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 0.25 0.10971 1 0.0
Zr1 Zr+4 0 0.75 0.125 0.655 0.0
Li1 Li+1 0 0.25 0.375 1 0.0
