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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/66/1536654.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_1536654
loop_
_publ_author_name
'Wontcheu, J.'
'Schleid, T.'
_publ_section_title
;
 Cs Tm Cl2 (Se O3): a quinary phase in the system (Cs Cl)/ (Tm O Cl)/(Se
 O2)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              429
_journal_page_last               433
_journal_volume                  171
_journal_year                    2003
_chemical_formula_sum            'Cl2 Cs O3 Se Tm'
_chemical_name_systematic        'Cs Tm Cl2 (Se O3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.093
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.5892
_cell_length_b                   6.8926
_cell_length_c                   17.525
_cell_volume                     785.926
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Wontcheu_JSSCBI_2003_622.cif
_cod_data_source_block           Cl2Cs1O3Se1Tm1
_cod_original_cell_volume        785.9257
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Cl2 Cs1 O3 Se1 Tm1'
_cod_database_code               1536654
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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
Cl2 Cl-1 0.1802 0.3386 0.40893 1 0.0
Tm1 Tm+3 0.11872 0.32123 0.2582 1 0.0
O2 O-2 0.4194 0.4958 0.2365 1 0.0
Cl1 Cl-1 0.4854 0.1895 0.61012 1 0.0
Se1 Se+4 0.06818 0.18288 0.70761 1 0.0
Cs1 Cs+1 0.19304 0.2095 0.94572 1 0.0
O1 O-2 0.2818 0.1733 0.7722 1 0.0
O3 O-2 0.4219 0.1455 0.2443 1 0.0
