#------------------------------------------------------------------------------
#$Date: 2015-07-13 23:01:22 +0300 (Mon, 13 Jul 2015) $
#$Revision: 151171 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/14/7221482.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_7221482
loop_
_publ_author_name
'Kuang, X.'
'Allix, M.M.B.'
'Claridge, J.B.'
'Ibberson, R.M.'
'Rosseinsky, M.J.'
'Niu, H.J.'
'Iddles, D.M.'
_publ_section_title
;
 Crstal structure, microwave dielectric properties and AC conductivity of
 B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn,
 Mg, Ga, Al)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1038
_journal_page_last               1045
_journal_volume                  16
_journal_year                    2006
_chemical_formula_sum            'La5 Mg0.5 O15 Ti3.5'
_chemical_name_systematic        'La5 Mg0.5 Ti3.5 O15'
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.563013
_cell_length_b                   5.563013
_cell_length_c                   21.98238
_cell_volume                     589.149
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Kuang_JMACEP_2006_792.cif
_cod_data_source_block           La5Mg0.5O15Ti3.5
_cod_original_cell_volume        589.1495
_cod_database_code               7221482
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,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
Mg1 Mg+2 0 0 0.4094 0.007 0.0
O2 O-2 0.32823 0.10795 0.34923 1 0.0
O1 O-2 0.89519 0.23456 0.55254 1 0.0
Mg2 Mg+2 0.6667 0.3333 0.30054 0.243 0.0
La2 La+3 0.3333 0.6667 0.35624 1 0.0
Ti2 Ti+4 0.6667 0.3333 0.30054 0.757 0.0
O3 O-2 0.55663 0 0.25 1 0.0
Ti1 Ti+4 0 0 0.4094 0.993 0.0
La1 La+3 0.6667 0.3333 0.46166 1 0.0
La3 La+3 0 0 0.25 1 0.0
