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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/1/51/08/1510871.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_1510871
loop_
_publ_author_name
'Ilyukhin, A.B.'
'Dzhurinskii, B.F.'
_publ_section_title
;
 Crystal structures of double borates Ln Ba3 (B O3)3 (Ln= Dy, Ho, Tm, Yb,
 Lu)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1625
_journal_page_last               1630
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'B3 Ba3 Dy O9'
_chemical_name_systematic        'Dy Ba3 (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                   13.041
_cell_length_b                   13.041
_cell_length_c                   9.523
_cell_volume                     1402.575
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            boron_384.cif
_cod_data_source_block           B3Ba3Dy1O9
_cod_original_formula_sum        'B3 Ba3 Dy1 O9'
_cod_database_code               1510871
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
Ba1 Ba+2 0.3699 0.24978 0.47366 0.8334 0.0
B1 B+3 0.1524 0.2017 -0.2482 1 0.0
Dy1 Dy+3 0.3699 0.24978 0.47366 0.1666 0.0
Dy2 Dy+3 0 0 0 1 0.0
O1 O-2 0.1182 0.1651 -0.118 0.61 0.0
O2 O-2 0.267 0.244 -0.291 0.61 0.0
Ba2 Ba+2 0 0 0.5 1 0.0
O6 O-2 0.238 0.241 -0.334 0.39 0.0
O5 O-2 0.04 0.171 -0.294 0.39 0.0
O3 O-2 0.069 0.191 -0.35 0.61 0.0
O4 O-2 0.183 0.204 -0.093 0.39 0.0
