#------------------------------------------------------------------------------
#$Date: 2015-07-10 12:27:59 +0300 (Fri, 10 Jul 2015) $
#$Revision: 141629 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/14/1521419.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_1521419
loop_
_publ_author_name
'Klementova, M.'
'Weiss, Z.'
'Rieder, M.'
_publ_section_title
;
 Rietveld refinement of cassiterite: a caveat for meticulous sample
 preparation
;
_journal_name_full
'International Journal of Inorganic Materials'
_journal_page_first              155
_journal_page_last               157
_journal_volume                  45
_journal_year                    2000
_chemical_formula_sum            'O2 Sn0.912'
_chemical_name_systematic        'Sn0.912 O2'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.7384
_cell_length_b                   4.7384
_cell_length_c                   3.1865
_cell_volume                     71.545
_citation_journal_id_ASTM        JCZSEQ
_cod_data_source_file            Klementova_JCZSEQ_2000_1523.cif
_cod_data_source_block           O2Sn0.912
_cod_original_cell_volume        71.54469
_cod_database_code               1521419
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,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_U_iso_or_equiv
Sn1 Sn+4 0 0 0 0.912 0.0
O1 O-2 0.3076 0.3076 0 1 0.0
