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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/1/51/12/1511286.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_1511286
loop_
_publ_author_name
'Stephan, M.'
'Eyert, V.'
'Mishra, K.C.'
'de Boer, B.G.'
'Osterloh, I.'
'Schmidt, P.C.'
'Johnson, K.H.'
_publ_section_title
;
 Electronic structures and nature of host excitation in borates
;
_journal_name_full
'Berichte der Bunsengesellschaft fuer Physikalische Chemie'
_journal_page_first              1772
_journal_page_last               1782
_journal_volume                  102
_journal_year                    1998
_chemical_formula_sum            'B O3 Y'
_chemical_name_systematic        'Y (B O3)'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   11.335
_cell_length_b                   6.544
_cell_length_c                   8.81
_cell_volume                     653.493
_citation_journal_id_ASTM        BBPCAX
_cod_data_source_file            boron0-1_412.cif
_cod_data_source_block           B1O3Y1
_cod_original_cell_volume        653.4927
_cod_original_formula_sum        'B1 O3 Y1'
_cod_database_code               1511286
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+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
O4 O-2 0 0.167 0.595 1 0.0
Y1 Y+3 0.167 0 0 1 0.0
O1 O-2 0.109 0.0575 0.25 1 0.0
B2 B+3 0 0.929 0.25 1 0.0
O3 O-2 0.167 0.333 0.095 1 0.0
B1 B+3 0.119 0.2865 0.25 1 0.0
Y2 Y+3 0 0.5 0 1 0.0
O2 O-2 0 0.3855 0.25 1 0.0
