#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/41/9014139.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9014139
loop_
_publ_author_name
'Choisnet, J.'
'Raveau, B.'
_publ_section_title
;
 Une nouvelle structure hexagonale compacte ordonne: les oxydes
 (Sn - x3)octa (M - Li)tetra O8 avec X = Sn(Ti)+ M + Li et M = Zn, Mg
 _cod_database_code 1001289
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1381
_journal_page_last               1389
_journal_paper_doi               10.1016/0025-5408(79)90079-5
_journal_volume                  14
_journal_year                    1979
_chemical_formula_sum            'Li0.4 Mg0.4 O2 Sn0.7'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.077
_cell_length_b                   6.077
_cell_length_c                   9.829
_cell_formula_units_Z            8
_cell_volume                     314.354
_database_code_amcsd             0014277
_exptl_crystal_density_diffrn    5.392
_cod_duplicate_entry             1001289
_cod_original_formula_sum        'Sn.7 Mg.4 Li.4 O2'
_cod_database_code               9014139
_amcsd_formula_title             'Li1.6 Mg1.6 O8 Sn2.8'
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x-y,x,1/2+z
-y,-x,z
-y,x-y,z
x-y,-y,1/2+z
-x,-y,1/2+z
x,x-y,z
-x+y,-x,z
y,x,1/2+z
y,-x+y,1/2+z
-x+y,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sn1 0.33333 0.66667 0.49700 1.00000
Sn2 0.16800 -0.16800 0.22200 0.60000
Mg1 0.16800 -0.16800 0.22200 0.20000
Li1 0.16800 -0.16800 0.22200 0.20000
Mg2 0.33333 0.66667 -0.09200 1.00000
Li2 0.00000 0.00000 0.53800 1.00000
O1 0.00000 0.00000 0.33600 1.00000
O2 0.33333 0.66667 0.12700 1.00000
O3 0.46700 -0.46700 0.36900 1.00000
O4 0.16300 -0.16300 0.62500 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014277
