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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/16/1001606.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_1001606
loop_
_publ_author_name
'Caignaert, V'
'Daniel, Ph'
'Nguyen, N'
'Ducouret, A'
'Groult, D'
'Raveau, B'
_publ_section_title
;
Structure refinement of the 0201-1201 intergrowth-type ferrite
PbSr₄Fe₂O₉: powder neutron diffraction and Moessbauer
spectroscopy studies
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              126
_journal_page_last               131
_journal_paper_doi               10.1006/jssc.1994.1276
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     'Pb1.01 Sr4 Fe2 O9'
_chemical_formula_sum            'Fe2 O9 Pb1.01 Sr4'
_chemical_name_systematic        'Lead(IV) strontium iron(III) oxide'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.84845(8)
_cell_length_b                   3.84845(8)
_cell_length_c                   30.68379(80)
_cell_volume                     454.4
_refine_ls_R_factor_all          0.061
_cod_database_code               1001606
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
-y,x,z
y,-x,z
y,x,z
-y,-x,z
-x,-y,-z
x,y,-z
x,-y,-z
-x,y,-z
y,-x,-z
-y,x,-z
-y,-x,-z
y,x,-z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
1/2+y,1/2+x,1/2+z
1/2-y,1/2-x,1/2+z
1/2-x,1/2-y,1/2-z
1/2+x,1/2+y,1/2-z
1/2+x,1/2-y,1/2-z
1/2-x,1/2+y,1/2-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2-z
1/2-y,1/2-x,1/2-z
1/2+y,1/2+x,1/2-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
O2 0.0348 0. 0. 0.0348 0. 0.0501
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Pb1 Pb4+ 2 a 0. 0. 0. 0.62(3) 0 d
Pb2 Pb4+ 8 i 0.140(8) 0. 0. 0.0975(75) 0 d
Sr1 Sr2+ 4 e 0.5 0.5 0.0855(1) 1. 0 d
Sr2 Sr2+ 4 e 0.5 0.5 0.2050(1) 1. 0 d
Fe1 Fe3+ 4 e 0. 0. 0.1512(1) 1. 0 d
O1 O2- 8 j 0.141(2) 0. 0.5 0.25 0 d
O2 O2- 4 e 0. 0. 0.0642(1) 1. 0 d
O3 O2- 8 g 0.5 0. 0.1419(1) 1. 0 d
O4 O2- 4 e 0. 0. 0.2145(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb4+ 4.000
Sr2+ 2.000
Fe3+ 3.000
O2- -2.000
