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#$Date: 2016-03-21 05:29:08 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178480 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/01/4030191.cif $
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#
# 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_4030191
loop_
_publ_author_name
'Archaimbault, F.'
'Choisnet, J.'
'Rautureau, M.'
_publ_section_title
;
 New ferriantimonates with the CaFe2O4 type structure : Na2Fe3SbO8 and the
 isomorphous series Na2Fe(2+x)Sn(2-2x)SbxO8 (O<=x<=1)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              573
_journal_page_last               587
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'Fe Na O4 Sn'
_chemical_formula_weight         261.55
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.331(4)
_cell_length_b                   10.970(5)
_cell_length_c                   3.060(1)
_cell_volume                     313.2(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_exptl_crystal_density_diffrn    5.547
_refine_ls_number_reflns         65
_refine_ls_R_I_factor            0.035
_cod_data_source_file            EJSSIC-1988-25-573-587-1.cif
_cod_data_source_block           NaFeSnO4
_cod_database_code               4030191
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,-z
3 1/2+x,1/2-y,1/2-z
4 -x,-y,1/2+z
5 -x,-y,-z
6 1/2+x,1/2-y,z
7 1/2-x,1/2+y,1/2+z
8 x,y,1/2-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_B_iso_or_equiv
Na Na 0.762(3) 0.659(2) 0.25 1. 1.0(1)
Fe1 Fe 0.4313(5) 0.6128(6) 0.25 0.5 0.90(2)
Sn1 Sn 0.4313(5) 0.6128(6) 0.25 0.5 0.90(2)
Fe2 Fe 0.4161(5) 0.1052(5) 0.25 0.5 0.98(3)
Sn2 Sn 0.4161(5) 0.1052(5) 0.25 0.5 0.98(3)
O1 O 0.202(2) 0.150(2) 0.25 1. 1.1(1)
O2 O 0.116(2) 0.479(2) 0.25 1. 3.90(4)
O3 O 0.514(3) 0.788(3) 0.25 1 0.25(15)
O4 O 0.424(2) 0.430(2) 0.25 1 1.5(1)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Fe Fe -1.1336 3.1974 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
