#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005895.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_2005895
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  53
_journal_year       1997
_journal_page_first    	9
_journal_page_last    	11
_publ_section_title
;
Os~3~Sn~15~O~14~, ein tern\"ares Oxid mit osmiumgef\"ullten
Sn~6~-Oktaedern
;
_chemical_formula_moiety    	'Os3 Sn15 O14'
_chemical_formula_sum    	'O14 Os3 Sn15'
_chemical_formula_structural    	'Os3 Sn15 O14'
_chemical_formula_analytical    	'Os Sn5 O4'
_chemical_formula_weight    	2574.95
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_[local]_cod_cif_authors_sg_H-M  'C m'
loop_
_symmetry_equiv_pos_as_xyz
    'x, y, z'
    'x, -y, z'
    'x+1/2, y+1/2, z'
    'x+1/2, -y+1/2, z'
_cell_length_a    	12.399(1)
_cell_length_b    	7.090(1)
_cell_length_c    	12.939(2)
_cell_angle_alpha    	90.00
_cell_angle_beta    	108.49(1)
_cell_angle_gamma    	90.00
_cell_volume    	1078.7(2)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	7.927
_cell_measurement_temperature    	293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    Os1 1 0.69791(4) 0 0.69349(4) 0.01048(9)
    Os2 1 0.38401(4) 0.5000 0.23203(4) 0.01035(9)
    Os3 1 0.78859(6) 0.5000 0.96507(6) 0.01094(7)
    Sn1 1 0.90304(10) 0 0.82222(8) 0.0121(2)
    Sn2 1 0.48695(9) 0 0.57930(9) 0.0131(2)
    Sn3 1 0.74630(7) 0.74262(12) 0.57404(6) 0.01283(12)
    Sn4 1 0.59471(9) 0.5000 0.34064(9) 0.0136(2)
    Sn5 1 0.94262(10) 0.5000 0.87227(9) 0.0141(2)
    Sn6 1 0.65008(9) 0.5000 0.07992(8) 0.0122(2)
    Sn7 1 0.66889(7) 0.75983(12) 0.83755(6) 0.01333(12)
    Sn8 1 0.17854(9) 0.5000 0.11128(8) 0.0125(2)
    Sn9 1 0.40893(6) 0.26229(12) 0.08919(6) 0.01297(12)
    Sn10 1 0.83543(7) 0.74056(13) 0.34646(6) 0.01425(13)
    Sn11 1 0.51454(9) 0.5000 0.61927(8) 0.01295(14)
    O1 1 0.9099(7) 0.2123(12) 0.5337(6) 0.0133(11)
    O2 1 0.9594(12) 0 0.9908(10) 0.014(2)
    O3 1 0.6236(10) 0.5000 0.5281(9) 0.015(2)
    O4 1 1.1226(12) 0.5000 0.9430(9) 0.014(2)
    O5 1 0.4239(11) 0 0.4106(9) 0.016(2)
    O6 1 0.3477(10) 0 0.6335(10) 0.017(2)
    O7 1 0.7005(6) 0.7223(13) 0.4059(6) 0.0147(12)
    O8 1 0.5845(8) 0.7675(13) 0.1144(9) 0.0164(15)
    O9 1 0.9893(8) 0.7530(13) 0.8159(7) 0.0158(15)
    O10 1 0.7256(10) 0.5000 0.2507(9) 0.013(2)
_cod_database_code 2005895