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#$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532790.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_1532790
loop_
_publ_author_name
'Bull, C.L.'
'Gleeson, D.'
'Knight, K.S.'
_publ_section_title
;
 Determination of B-site ordering and structural transformations in the
 mixed transition metal perovskites La2 Co Mn O6 and La2 Ni Mn O6
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              4927
_journal_page_last               4936
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'La2 Mn Ni O6'
_chemical_name_systematic        'La2 (Ni Mn O6)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                60.6712
_cell_angle_beta                 60.6712
_cell_angle_gamma                60.6712
_cell_formula_units_Z            1
_cell_length_a                   5.47456
_cell_length_b                   5.47456
_cell_length_c                   5.47456
_cell_volume                     117.778
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Bull_JCOMEL_2003_750.cif
_cod_data_source_block           La2Mn1Ni1O6
_cod_original_cell_volume        117.7779
_cod_original_sg_symbol_Hall     '-R 3 (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'La2 Mn1 Ni1 O6'
_cod_database_code               1532790
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-x,-y,-z
-z,-x,-y
-y,-z,-x
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
Mn2 Mn+4 0.5 0.5 0.5 0.85 0.0
Ni1 Ni+2 0 0 0 0.85 0.0
Ni2 Ni+2 0.5 0.5 0.5 0.15 0.0
O1 O-2 0.79782 0.69173 0.25116 1 0.0
La1 La+3 0.24964 0.24964 0.24964 1 0.0
Mn1 Mn+4 0 0 0 0.15 0.0