#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/37/8103788.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_8103788
loop_
_publ_author_name
'Smrcok, L.'
'Halvarsson, M.'
'Langer, V.'
'Ruppi, S.'
_publ_section_title
;
 A new Rietveld refinement of kappa-(Al2 O3)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              409
_journal_page_last               412
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'Al2 O3'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   4.834
_cell_length_b                   8.3096
_cell_length_c                   8.9353
_cell_volume                     358.919
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Smrcok_ZEKRDZ_2001_67.cif
_cod_data_source_block           Al2O3
_cod_original_cell_volume        358.9185
_cod_database_code               8103788
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,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
Al4 Al+3 0.3156 0.6576 0.3734 1 0.0
O5 O-2 -0.0202 0.3231 0.5166 1 0.0
O4 O-2 0.1544 0.4953 0.2656 1 0.0
O6 O-2 0.1638 0.841 0.2708 1 0.0
O2 O-2 0.5085 0.5089 0.505 1 0.0
Al1 Al+3 0.1778 0.8383 0.6466 1 0.0
Al3 Al+3 0.3138 0.3502 0.5713 1 0.0
O1 O-2 0.4796 0.8529 0.4977 1 0.0
O3 O-2 0.1627 0.1632 0.2429 1 0.0
Al2 Al+3 0.3307 0.0245 0.3775 1 0.0
