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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/4/00/25/4002557.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_4002557
loop_
_publ_author_name
'Ramesha, K.'
'Sebastian, L.'
'Eichhorn, B.'
'Gopalakrishnan, J.'
_publ_section_title
;
 Perovskite and pyrochlore modifications of Pb2 Mn Re O6:
 synthesis,structure and electronic properties
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              668
_journal_page_last               674
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'Mn O6 Pb2 Re'
_chemical_name_systematic        'Pb2 (Mn Re O6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.14
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.7054
_cell_length_b                   5.7714
_cell_length_c                   8.0415
_cell_volume                     264.791
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Ramesha_CMATEX_2003_326.cif
_cod_data_source_block           Mn1O6Pb2Re1
_cod_original_cell_volume        264.7909
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Mn1 O6 Pb2 Re1'
_cod_database_code               4002557
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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
O3 O-2 0.2293 0.2118 0.9621 1 0.0
O2 O-2 0.7002 0.2833 0.0382 1 0.0
Re2 Re+6 0.5 0 0 0.86 0.0
Pb1 Pb+2 0.9743 0.0126 0.2458 1 0.0
Re1 Re+6 0.5 0 0.5 0.14 0.0
O1 O-2 0.0623 0.4452 0.2612 1 0.0
Mn1 Mn+2 0.5 0 0.5 0.86 0.0
Mn2 Mn+2 0.5 0 0 0.14 0.0
