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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/08/1510877.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_1510877
loop_
_publ_author_name
'Xu, Y.P.'
'Li, X.Z.'
'Wu, L.'
'Jian, J.K.'
'Chen, X.L.'
'Cao, Y.G.'
_publ_section_title
;
 Thermal stability and crystal structure of beta-(Ba3 Y B3 O9)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              216
_journal_page_last               220
_journal_paper_doi               10.1016/S0022-4596(03)00415-8
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'B3 Ba3 O9 Y'
_chemical_name_systematic        'Ba3 (Y (B O3)3)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   13.0441
_cell_length_b                   13.0441
_cell_length_c                   9.5291
_cell_volume                     1404.141
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron_390.cif
_cod_data_source_block           B3Ba3O9Y1
_cod_original_formula_sum        'B3 Ba3 O9 Y1'
_cod_database_code               1510877
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
O3 O-2 0.071 0.1922 0.6736 1 0.0
O1 O-2 0.1298 0.1804 0.8915 1 0.0
Y2 Y+3 0 0 0 1 0.0
O2 O-2 0.2626 0.2558 0.7104 1 0.0
Y1 Y+3 0.372 0.248 0.4743 0.1667 0.0
B1 B+3 0.1552 0.2 0.7539 1 0.0
Ba1 Ba+2 0.372 0.248 0.4743 0.8333 0.0
Ba2 Ba+2 0 0 0.5 1 0.0
