#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/03/1000360.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_1000360
loop_
_publ_author_name
'Hemon-Ribaud, A'
'Greneche, J M'
'Courbion, G'
_publ_section_title
;
Synthesis, crystal structure, and magnetic study of Na₇Sr₂Fe₇F₃₂
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              82
_journal_page_last               91
_journal_paper_doi               10.1006/jssc.1994.1269
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     'Na7 Sr2 (Fe7 F32)'
_chemical_formula_sum            'F32 Fe7 Na7 Sr2'
_chemical_name_systematic
;
Heptasodium distrontium tecto-fluoroheptaferrate(III)
;
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.372(3)
_cell_length_b                   10.805(3)
_cell_length_c                   44.98(2)
_cell_volume                     5040.9
_refine_ls_R_factor_all          0.036
_cod_original_sg_symbol_H-M      'F d d d Z'
_cod_database_code               1000360
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/4-y,1/4-z
1/4-x,y,1/4-z
1/4-x,1/4-y,z
-x,-y,-z
-x,3/4+y,3/4+z
3/4+x,-y,3/4+z
3/4+x,3/4+y,-z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
x,3/4-y,3/4-z
1/2+x,1/4-y,3/4-z
1/2+x,3/4-y,1/4-z
1/4-x,1/2+y,3/4-z
3/4-x,y,3/4-z
3/4-x,1/2+y,1/4-z
1/4-x,3/4-y,1/2+z
3/4-x,1/4-y,1/2+z
3/4-x,3/4-y,z
-x,1/2-y,1/2-z
1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
-x,1/4+y,1/4+z
1/2-x,3/4+y,1/4+z
1/2-x,1/4+y,3/4+z
3/4+x,1/2-y,1/4+z
1/4+x,-y,1/4+z
1/4+x,1/2-y,3/4+z
3/4+x,1/4+y,1/2-z
1/4+x,3/4+y,1/2-z
1/4+x,1/4+y,-z
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
Sr1 Sr2+ 16 g 0.125 0.125 0.25704(2) 1. 0 d
Fe1 Fe3+ 8 b 0.125 0.125 0.625 1. 0 d
Fe2 Fe3+ 16 d 0.5 0.5 0.5 1. 0 d
Fe3 Fe3+ 32 h 0.1110(1) 0.3615(1) 0.18213(2) 1. 0 d
Na1 Na1+ 8 a 0.125 0.125 0.125 1. 0 d
Na2 Na1+ 16 g 0.125 0.125 0.3793(1) 1. 0 d
Na3 Na1+ 32 h 0.1226(3) 0.3770(3) 0.3162(1) 1. 0 d
F1 F1- 32 h 0.0024(4) 0.2780(3) 0.1547(1) 1. 0 d
F2 F1- 32 h 0.0680(3) 0.0040(3) 0.0378(1) 1. 0 d
F3 F1- 32 h 0.1133(4) 0.3910(3) 0.2612(1) 1. 0 d
F4 F1- 32 h 0.0195(3) 0.0370(3) 0.3012(1) 1. 0 d
F5 F1- 32 h 0.0119(3) 0.4478(3) 0.0416(1) 1. 0 d
F6 F1- 32 h 0.0008(4) 0.0247(3) 0.8351(1) 1. 0 d
F7 F1- 32 h 0.1072(7) 0.4968(4) 0.0958(1) 1. 0 d
F8 F1- 16 g 0.125 0.125 0.5081(1) 1. 0 d
F9 F1- 16 e 0.4478(6) 0.125 0.125 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Fe3+ 3.000
Na1+ 1.000
F1- -1.000
