#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/13/1521340.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_1521340
loop_
_publ_author_name
'Kaduk, J.A.'
'Satek, L.C.'
'McKenna, S.T.'
_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            'Al2 B2 O7 Sr'
_chemical_name_systematic        'Sr (Al2 B2 O7)'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.90363
_cell_length_b                   4.90363
_cell_length_c                   23.93459
_cell_volume                     498.416
_citation_journal_id_ASTM        RIJOFV
_cod_data_source_file            Kaduk_RIJOFV_1999_735.cif
_cod_data_source_block           Al2B2O7Sr1
_cod_original_formula_sum        'Al2 B2 O7 Sr1'
_cod_database_code               1521340
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-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
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+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
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+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
O1 O-2 0.6667 0.3333 0.8333 1 0.0
O2 O-2 0.3896 0.4159 -0.0691 1 0.0
Sr1 Sr+2 0 0 0 1 0.0
Al1 Al+3 0.6667 0.3333 -0.0963 1 0.0
B1 B+3 0.6667 0.3333 0.0686 1 0.0
