#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/08/1510875.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_1510875
loop_
_publ_author_name
'Wang Guofu'
'Pan Shangke'
_publ_section_title
;
 Structure of low temperature phase beta-(Ba3 Y (B O3)3) crystal
;
_journal_name_full               'Jiegon Huaxue'
_journal_page_first              187
_journal_page_last               189
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'B3 Ba3 O9 Y'
_chemical_name_systematic        'Ba3 Y (B O3)3'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.416
_cell_length_b                   9.416
_cell_length_c                   17.536
_cell_volume                     1346.462
_citation_journal_id_ASTM        JHUADF
_cod_data_source_file            boron_389.cif
_cod_data_source_block           B3Ba3O9Y1
_cod_original_formula_sum        'B3 Ba3 O9 Y1'
_cod_database_code               1510875
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z
-x+y,y,z+1/2
-x,-x+y,z
-y,-x,z+1/2
x-y,-y,z
x,x-y,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
Ba1 Ba+2 0.3434 0 0.4219 1 0.0
Y2 Y+3 0 0 0.5473 1 0.0
O4 O-2 0 0.1971 0.6216 1 0.0
Ba3 Ba+2 0 0 0.3305 1 0.0
Ba2 Ba+2 0.3215 0 0.1824 1 0.0
B3 B+3 0 0.662 0.308 1 0.0
Ba4 Ba+2 0.6667 0.3333 0.2791 1 0.0
B1 B+3 0 0.67 0.473 1 0.0
Y1 Y+3 0.3333 0.6667 0.5517 1 0.0
O6 O-2 0.5189 0 0.3038 1 0.0
O1 O-2 0.3298 0.4745 0.4779 1 0.0
O5 O-2 0.1478 0.8164 0.3032 1 0.0
O3 O-2 0 0.8153 0.4692 1 0.0
B2 B+3 0.649 0.649 0.632 1 0.0
O2 O-2 0.5132 0.6606 0.6376 1 0.0
