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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310429.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310429
loop_
_publ_author_name
'Kruse, F.H.'
'Asprey, L.B.'
'Morosin, B.'
_publ_section_title
;
 The crystal structure of the lanthanide oxyiodides, Sm O I, Tm O I and Yb
 O I
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              541
_journal_page_last               542
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'I O Tm'
_chemical_name_systematic        'Tm O I'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.887
_cell_length_b                   3.887
_cell_length_c                   9.166
_cell_volume                     138.487
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Kruse_ACCRA9_1961_1448.cif
_cod_data_source_block           I1O1Tm1
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'I1 O1 Tm1'
_cod_database_code               2310429
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z
y,x,-z
-x+1/2,y+1/2,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z
x,-y,z
y+1/2,x+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_U_iso_or_equiv
I1 I-1 0 0.5 0.68 1 0.0
Tm1 Tm+3 0 0.5 0.125 1 0.0
O1 O-2 0 0 0 1 0.0
