#------------------------------------------------------------------------------
#$Date: 2016-12-28 06:47:30 +0100 (Wed 28 de Dec de 2016) $
#$Revision: 189464 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/49/1544906.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_1544906
loop_
_publ_author_name
'Iwai, S.'
'Yamamoto, H.'
'Morikawa, H.'
'Isobe, M.'
_publ_section_title
;
 Topotactic thermal-transformation of diaspore to corundum Sample: no heat
 treatment
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              137
_journal_page_last               158
_journal_volume                  7
_journal_year                    1973
_chemical_formula_sum            'Al H O2'
_chemical_name_common            AlOOH
_chemical_name_mineral           'natural diaspore'
_space_group_IT_number           62
_space_group_name_H-M_alt        'P b n m'
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.3992(2)
_cell_length_b                   9.4214(7)
_cell_length_c                   2.8446(2)
_cell_volume                     117.899(13)
_cod_data_source_file            diaspore.cif
_cod_data_source_block           diaspore
_cod_database_code               1544906
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, z'
'-x, -y, z+1/2'
'x, y, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al 1.0 0.5458(11) 0.6448(5) -0.250000 Biso 0.160000 Al
O 1.0 0.289(3) 0.8032(13) -0.250000 Biso 0.600000 O
OH 1.0 0.698(3) 0.4446(11) -0.250000 Biso 0.160000 O
