#------------------------------------------------------------------------------
#$Date: 2015-10-09 15:59:54 +0300 (Fri, 09 Oct 2015) $
#$Revision: 162067 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/49/1534974.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_1534974
loop_
_publ_author_name
'Soetebier, F.'
'Urland, W.'
_publ_section_title
;
 Structural chemistry and magnetic properties of Ho(3+)-beta''-(Al2O3)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              711
_journal_page_last               714
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Al10.5 Ho0.5 Mg0.5 O17'
_chemical_name_systematic        'Ho0.5 (Mg0.5 Al10.5) O17'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.6143
_cell_length_b                   5.6143
_cell_length_c                   33.537
_cell_volume                     915.474
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Soetebier_ZAACAB_2002_366.cif
_cod_data_source_block           Al10.5Ho0.5Mg0.5O17
_cod_database_code               1534974
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,-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+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
-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
Mg4 Mg+2 0 0 0.45244 0.045 0.0
Ho1 Ho+3 0 0 0.17895 0.193 0.0
Al2 Al+3 0 0 0.35075 0.955 0.0
Al3 Al+3 0.3352 0.1676 0.07139 0.955 0.0
Mg2 Mg+2 0 0 0.35075 0.045 0.0
O5 O-2 0.3333 0.6667 0.1667 1 0.0
O3 O-2 0 0 0.0977 1 0.0
O2 O-2 0 0 0.2956 1 0.0
O1 O-2 0.155 0.31 0.03434 1 0.0
Ho2 Ho+3 0.8333 0.1667 0.1667 0.037 0.0
Mg3 Mg+2 0.3352 0.1676 0.07139 0.045 0.0
Mg1 Mg+2 0 0 0 0.045 0.0
Al4 Al+3 0 0 0.45244 0.955 0.0
O4 O-2 0.163 0.326 0.23478 1 0.0
Al1 Al+3 0 0 0 0.955 0.0
