#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511228.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_1511228
loop_
_publ_author_name
'Newnham, R.E.'
'Santoro, R.P.'
'Redman, M.J.'
_publ_section_title
;
 Crystal structure of yttrium and other rare-earth borates
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              253
_journal_page_last               256
_journal_paper_doi               10.1111/j.1151-2916.1963.tb11721.x
_journal_volume                  46
_journal_year                    1963
_chemical_formula_sum            'B Lu O3'
_chemical_name_systematic        'Lu B O3'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.727
_cell_length_b                   3.727
_cell_length_c                   8.722
_cell_volume                     104.922
_citation_journal_id_ASTM        JACTAW
_cod_data_source_file            boron0-1_342.cif
_cod_data_source_block           B1Lu1O3
_cod_original_cell_volume        104.9217
_cod_original_formula_sum        'B1 Lu1 O3'
_cod_database_code               1511228
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+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-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-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
B1 B+3 0.229 0.458 0.25 0.3333 0.0
O2 O-2 0.3333 0.6667 0.116 1 0.0
O1 O-2 0.02 0.04 0.25 0.3333 0.0
Lu1 Lu+3 0 0 0 1 0.0
