#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/15/1531552.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_1531552
loop_
_publ_author_name
'Kagomiya, I.'
'Kohn, K.'
'Uchiyama, T.'
_publ_section_title
;
 Structure and ferroelectricity of R Mn2 O5
;
_journal_name_full               Ferroelectrics
_journal_page_first              131
_journal_page_last               143
_journal_volume                  280
_journal_year                    2002
_chemical_formula_sum            'Lu Mn2 O5'
_chemical_name_systematic        'Lu (Mn2 O5)'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.1716
_cell_length_b                   8.4071
_cell_length_c                   5.655
_cell_volume                     340.953
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Kagomiya_FEROA8_2002_1928.cif
_cod_data_source_block           Lu1Mn2O5
_cod_original_cell_volume        340.9533
_cod_original_formula_sum        'Lu1 Mn2 O5'
_cod_database_code               1531552
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z
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
Mn1 Mn+4 0 0.5 0.2535 1 0.0
O1 O-2 0 0 0.2724 1 0.0
Lu1 Lu+3 0.1363 0.1698 0 1 0.0
O2 O-2 0.1608 0.447 0 1 0.0
O4 O-2 0.3876 0.2076 0.2418 1 0.0
O3 O-2 0.1459 0.4309 0.5 1 0.0
Mn2 Mn+3 0.4133 0.3476 0.5 1 0.0
