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#$Date: 2015-10-01 16:52:42 +0300 (Thu, 01 Oct 2015) $
#$Revision: 159500 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/33/1533353.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_1533353
loop_
_publ_author_name
'Chen, G.'
'Takenoshita, H.'
'Satoh, H.'
'Kamegashira, N.'
'Miyamoto, M.'
_publ_section_title
;
 Structural analysis of complex oxides Ln2 Mn Ta1+x O7+d (Ln = rare earth
 and yttrium) with pyrochlore-related structures
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              177
_journal_page_last               180
_journal_volume                  374
_journal_year                    2004
_chemical_formula_sum            'Dy1.78 Mn0.89 O6.82 Ta1.11'
_chemical_name_systematic        'Dy1.78 ((Mn0.89 Ta1.11) O6.82)'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.3872
_cell_length_b                   7.3872
_cell_length_c                   17.1351
_cell_volume                     809.799
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Chen_JALCEU_2004_1500.cif
_cod_data_source_block           Dy1.78Mn0.89O6.82Ta1.11
_cod_original_cell_volume        809.7985
_cod_database_code               1533353
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
y,x,-z
-x,-x+y,-z+1/3
x-y,-y,-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
O2 O-2 0.61 0.64 0.134 0.975 0.0
Ta3 Ta+5 0.497 0.33 0.1652 0.555 0.0
Ta1 Ta+5 0.83 0 0.8333 0.555 0.0
O6 O-2 0.561 0.36 0.0606 0.975 0.0
O3 O-2 0.2 0.74 0.151 0.975 0.0
Mn2 Mn+3 0.331 0 0.8333 0.445 0.0
Dy3 Dy+3 0.164 0.666 -0.0117 0.889 0.0
O7 O-2 0.458 0.807 0.0557 0.975 0.0
Dy1 Dy+3 0.841 0 0.3333 0.889 0.0
Ta2 Ta+5 0.331 0 0.8333 0.555 0.0
Mn1 Mn+3 0.83 0 0.8333 0.445 0.0
O1 O-2 0.17 0.18 0.166 0.975 0.0
O4 O-2 -0.064 0.27 0.0507 0.975 0.0
Mn3 Mn+3 0.497 0.33 0.1652 0.445 0.0
Dy2 Dy+3 0.346 0 0.3333 0.889 0.0
O5 O-2 -0.024 0.79 0.0564 0.975 0.0
