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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/1/53/20/1532018.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_1532018
loop_
_publ_author_name
'Pantyukhina, M.I.'
'Zubkov, V.G.'
'Andreev, O.L.'
'Batalov, N.N.'
'Tyutyunnik, A.P.'
_publ_section_title
;
 High-temperature X-ray and neutron study of lithium metazirconate
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1716
_journal_page_last               1723
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'Li2 O3 Zr'
_chemical_name_systematic        'Li2 (Zr O3)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.485
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5208
_cell_length_b                   9.0759
_cell_length_c                   5.4758
_cell_volume                     251.644
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Pantyukhina_ZNOKAQ_2001_135.cif
_cod_data_source_block           Li2O3Zr1
_cod_original_formula_sum        'Li2 O3 Zr1'
_cod_database_code               1532018
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
O1 O-2 0.25 0.25 0.5 1 0.0
Li2 Li+1 0 0.746 0.25 0.99 0.0
Zr1 Zr+4 0 0.0903 0.25 1 0.0
Li1 Li+1 0 0.427 0.25 0.84 0.0
O2 O-2 0.2714 0.577 0.4848 1 0.0
