#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532772.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_1532772
loop_
_publ_author_name
'Wong-Ng, W.'
'Kaduk, J.A.'
'Dillingham, J.'
_publ_section_title
;
 Crystal structures and reference diffraction patterns of Ba Sr R4 O9
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              202
_journal_page_last               209
_journal_volume                  17
_journal_year                    2002
_chemical_formula_sum            'Ba O8 Sr Tm4'
_chemical_name_systematic        'Ba Sr Tm4 O8'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.17143
_cell_length_b                   3.40117
_cell_length_c                   11.92002
_cell_volume                     412.370
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Wong-Ng_PODIE2_2002_3.cif
_cod_data_source_block           Ba1O8Sr1Tm4
_cod_original_cell_volume        412.3702
_cod_original_formula_sum        'Ba1 O8 Sr1 Tm4'
_cod_database_code               1532772
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-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
Tm1 Tm+3 0.42598 0.25 0.61157 1 0.0
O1 O-2 0.2079 0.25 0.1672 1 0.0
O2 O-2 0.1182 0.25 0.4829 1 0.0
O4 O-2 0.4305 0.25 0.4284 1 0.0
Sr1 Sr+2 0.75325 0.25 0.65009 0.5 0.0
Tm2 Tm+3 0.42176 0.25 0.10911 1 0.0
Ba1 Ba+2 0.75325 0.25 0.65009 0.5 0.0
O3 O-2 0.5154 0.25 0.7818 1 0.0
