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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/4/03/01/4030179.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_4030179
loop_
_publ_author_name
'Hoppe, Rudolf'
'Bernet, Kirsten'
_publ_section_title
;
 Zum aufbau von Na4[SnO4]
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              119
_journal_page_last               134
_journal_volume                  25
_journal_year                    1988
_chemical_formula_sum            'Na4 O4 Sn'
_chemical_formula_weight         274.67
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                124.3
_cell_angle_beta                 97.8
_cell_angle_gamma                99.5
_cell_formula_units_Z            2
_cell_length_a                   8.8508
_cell_length_b                   6.6297
_cell_length_c                   5.9055
_cell_volume                     270.984
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.948
_exptl_crystal_density_diffrn    3.366
_exptl_crystal_F_000             252
_refine_ls_number_parameters     82
_refine_ls_number_reflns         2354
_refine_ls_R_factor_gt           0.0508
_refine_ls_wR_factor_gt          0.0314
_cod_data_source_file            EJSSIC-1988-25-119-134.cif
_cod_data_source_block           Na4SnO4
_cod_database_code               4030179
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sn Sn Uani 0.23580 0.34110(10) 0.06210(10) 1.000 0.0072(1)
O1 O Uani 0.3779(3) 0.2010(5) 0.1860(6) 1.000 0.0125(7)
O2 O Uani 0.3696(3) 0.6767(5) 0.1996(6) 1.000 0.0128(7)
O3 O Uani -0.0455(3) 0.6499(5) 0.8096(6) 1.000 0.0151(8)
O4 O Uani 0.1956(3) 0.1289(5) 0.6473(6) 1.000 0.0116(7)
Na1 Na Uani 0.4370(2) 0.9810(3) 0.7173(4) 1.000 0.0149(5)
Na2 Na Uani 0.5971(2) 0.5619(3) 0.3148(3) 1.000 0.0144(4)
Na3 Na Uani 0.1927(2) 0.8887(3) 0.1695(3) 1.000 0.0143(4)
Na4 Na Uani 0.0086(2) 0.7445(3) 0.5019(4) 1.000 0.0148(5)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Na Na 0.0362 0.0249 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sn O2 105.18(13) . . yes
O1 Sn O4 104.19(13) . 1_554 yes
O1 Sn O3 112.85(14) . 2_566 yes
O2 Sn O4 104.92(14) . 1_554 yes
O2 Sn O3 114.17(14) . 2_566 yes
O3 Sn O4 114.51(12) 2_566 1_554 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn O1 1.970(3) . yes
Sn O2 1.961(4) . yes
Sn O4 1.955(3) 1_554 yes
Sn O3 1.935(3) 2_566 yes
