#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/5/00/02/5000224.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_5000224
loop_
_publ_author_name
'Baur, W. H.'
_publ_section_title
;
 Über die Verfeinerung der Kristallstrukturbestimmung einiger
 Vertreter des Rutiltyps: TiO₂, SnO₂, GeO₂ und MgF₂
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica'
_journal_page_first              515
_journal_page_last               520
_journal_paper_doi               10.1107/S0365110X56001388
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            'O2 Sn'
_chemical_name_mineral           Cassiterite
_chemical_name_systematic        'Tin(IV) oxide'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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                   4.737(1)
_cell_length_b                   4.737(1)
_cell_length_c                   3.185(1)
_cell_volume                     71.5
_database_code_amcsd             0009162
_exptl_crystal_density_diffrn    7.003
_exptl_crystal_density_meas      7
_refine_ls_R_factor_all          0.055
_cod_database_code               5000224
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2+z
-x,-y,-z
x,y,-z
1/2-x,1/2+y,1/2-z
1/2+x,1/2-y,1/2-z
y,x,z
-y,-x,z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
-y,-x,-z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2-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
Sn1 Sn4+ 2 a 0. 0. 0. 1. 0 d
O1 O2- 4 f 0.307(1) 0.307(1) 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sn4+ 4.000
O2- -2.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009162
