#------------------------------------------------------------------------------
#$Date: 2015-10-10 01:31:06 +0200 (Sat, 10 Oct 2015) $
#$Revision: 163836 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/62/1536206.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_1536206
loop_
_publ_author_name
'Czekalla, R.'
'Jeitschko, W.'
_publ_section_title
;
 Preparation and crystal structure of Li6 Zr2 O7 and Li6 Hf2 O7
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2038
_journal_page_last               2042
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'Li6 O7 Zr2'
_chemical_name_systematic        'Li6 (Zr2 O7)'
_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                 100.26
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.445
_cell_length_b                   5.989
_cell_length_c                   10.2
_cell_volume                     627.859
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Czekalla_ZAACAB_1993_1080.cif
_cod_data_source_block           Li6O7Zr2
_cod_original_cell_volume        627.8592
_cod_database_code               1536206
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 0.1338 0.1339 0.5023 1 0.0
Li3 Li+1 0.5665 0.0962 0.1031 1 0.0
O4 O-2 0 0.3503 0.25 1 0.0
Li2 Li+1 0.2917 0.3698 0.102 1 0.0
Li1 Li+1 0.0638 0.1454 0.0841 1 0.0
O3 O-2 0.3783 0.1223 0.0227 1 0.0
O2 O-2 0.25 0.1116 0.2549 1 0.0
Zr1 Zr+4 0.18341 0.37872 0.36463 1 0.0
