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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/29/1532981.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_1532981
loop_
_publ_author_name
'Kamegashira, N.'
'Meng Jian'
'Mori, T.'
'Fukuda, T.'
'Murase, A.'
'Satoh, H.'
'Shishido, T.'
_publ_section_title
;
 Growth and structure analysis of single crystal of tetragonal Ba Gd2 Mn2
 O7 with a superlattice structure
;
_journal_name_full               'Materials Letters'
_journal_page_first              1941
_journal_page_last               1944
_journal_volume                  57
_journal_year                    2003
_chemical_formula_sum            'Ba Gd2 Mn2 O7'
_chemical_name_systematic        'Ba Gd2 (Mn2 O7)'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5374
_cell_length_b                   5.5374
_cell_length_c                   20.618
_cell_volume                     632.206
_citation_journal_id_ASTM        MLETDJ
_cod_data_source_file            Kamegashira_MLETDJ_2003_509.cif
_cod_data_source_block           Ba1Gd2Mn2O7
_cod_original_cell_volume        632.2055
_cod_original_formula_sum        'Ba1 Gd2 Mn2 O7'
_cod_database_code               1532981
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,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
Ba1 Ba+2 0.2439 0.2439 0 1 0.0
O3 O-2 0 0 0.0987 1 0.0
O2 O-2 0 0.5 0.3891 1 0.0
Gd1 Gd+3 0.23016 0.23016 0.183363 1 0.0
O5 O-2 0.3 0.3 0.2904 1 0.0
O1 O-2 0.27 0.73 0 1 0.0
Mn1 Mn+3 0.2464 0.2464 0.397 1 0.0
O4 O-2 0 0 0.3762 1 0.0
