#------------------------------------------------------------------------------
#$Date: 2015-07-12 20:50:06 +0200 (dom 12 de jul de 2015) $
#$Revision: 148239 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/69/1526953.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_1526953
loop_
_publ_author_name
'Wong-Ng, W.'
'Kaduk, J.A.'
'Dillingham, J.'
_publ_section_title
;
 Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21
 by Rietveld refinements
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              131
_journal_page_last               143
_journal_volume                  16
_journal_year                    2001
_chemical_formula_sum            'Ba5 O21 Tm8 Zn4'
_chemical_name_systematic        'Ba5 Tm8 Zn4 O21'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.67323
_cell_length_b                   13.67323
_cell_length_c                   5.67492
_cell_volume                     1060.967
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Wong-Ng_PODIE2_2001_1872.cif
_cod_data_source_block           Ba5O21Tm8Zn4
_cod_database_code               1526953
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+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
O2 O-2 0.6319 0.9621 0 1 0.0
Tm1 Tm+3 0.2483 0.1682 0 1 0.0
O4 O-2 0.3523 0.2439 0.2451 1 0.0
Ba2 Ba+2 0.5357 0.1403 0 1 0.0
O1 O-2 0.5 0.5 0 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
O3 O-2 0.677 0.549 0.7456 1 0.0
Zn1 Zn+2 0.0402 0.2504 0 1 0.0
Tm2 Tm+3 0.4119 0.3577 0 1 0.0
