#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/86/1528690.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_1528690
loop_
_publ_author_name
'Liferovich, R.P.'
'Mitchell, R.H.'
_publ_section_title
;
 Mn, Mg, and Zn ilmenite group titanates: a reconnaissance Rietveld study
;
_journal_name_full               Kristallografiya
_journal_page_first              417
_journal_page_last               424
_journal_volume                  51
_journal_year                    2006
_chemical_formula_sum            'Mg0.46 O3 Ti Zn0.54'
_chemical_name_systematic        '(Zn0.54 Mg0.46) Ti O3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.06683
_cell_length_b                   5.06683
_cell_length_c                   13.9224
_cell_volume                     309.540
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Liferovich_KRISAJ_2006_1124.cif
_cod_data_source_block           Mg0.46O3Ti1Zn0.54
_cod_original_cell_volume        309.5405
_cod_original_formula_sum        'Mg0.46 O3 Ti1 Zn0.54'
_cod_database_code               1528690
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
Zn1 Zn+2 0 0 0.36003 0.54 0.0
Ti1 Ti+4 0 0 0.14693 1 0.0
O1 O-2 0.31763 0.02783 0.24513 1 0.0
Mg1 Mg+2 0 0 0.36107 0.46 0.0
