#------------------------------------------------------------------------------
#$Date: 2015-07-10 11:09:37 +0200 (vie 10 de jul de 2015) $
#$Revision: 141563 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/13/1521354.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_1521354
loop_
_publ_author_name
'Kaduk, J.A.'
'McKenna, S.T.'
'Satek, L.C.'
_publ_section_title
;
 Crystal structures of metal aluminium borates
;
_journal_name_full               'The Rigaku Journal'
_journal_page_first              17
_journal_page_last               30
_journal_volume                  16
_journal_year                    1999
_chemical_formula_sum            'Al6 B4 Cu2 O17'
_chemical_name_systematic        'Cu2 (Al6 B4 O17)'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.57945
_cell_length_b                   10.57945
_cell_length_c                   5.67357
_cell_volume                     635.013
_citation_journal_id_ASTM        RIJOFV
_cod_data_source_file            Kaduk_RIJOFV_1999_736.cif
_cod_data_source_block           Al6B4Cu2O17
_cod_original_cell_volume        635.0129
_cod_database_code               1521354
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+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
Cu1 Cu+2 0.02424 0.1911 0 0.487 0.0
Cu2 Cu+2 0.25 0.25 0.25 0.012 0.0
O4 O-2 0.4319 0.2407 0.2068 1 0.0
B1 B+3 0.2504 0.5054 0 1 0.0
Al2 Al+3 0.25 0.25 0.25 0.988 0.0
Al1 Al+3 0.02424 0.1911 0 0.513 0.0
O1 O-2 0.018 -0.018 0 0.25 0.0
O3 O-2 0.2477 0.3742 0 1 0.0
O2 O-2 0.2086 0.1501 0 1 0.0
