#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106899.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106899
loop_
_publ_author_name
'Dent Glasser, L.S.'
'Giovanoli, R.'
_publ_section_title
;
 Barium aluminate hydrates. V. The crystal structure of gamma-Ba (Al O (O
 H)2)2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              760
_journal_page_last               763
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Al2 Ba H4 O6'
_chemical_name_systematic        'Ba (Al O (O H)2)2'
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.7
_cell_length_b                   8.977
_cell_length_c                   6.416
_cell_volume                     1192.246
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            DentGlasser_ACBCAR_1972_1872.cif
_cod_data_source_block           H4Al2Ba1O6
_cod_original_formula_sum        'H4 Al2 Ba1 O6'
_cod_database_code               2106899
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/4,y+1/4,z+1/4
x+3/4,-y+3/4,z+1/4
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/4,y+3/4,z+3/4
x+3/4,-y+5/4,z+3/4
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
-x+3/4,y+1/4,z+3/4
x+5/4,-y+3/4,z+3/4
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-x+3/4,y+3/4,z+1/4
x+5/4,-y+5/4,z+1/4
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
Ba1 Ba+2 0 0 0 1 0.0
O3 O-2 0.0831 0.474 0.835 1 0.0
O2 O-2 0.0022 0.305 0.114 1 0.0
O1 O-2 0.1307 0.194 0.017 1 0.0
Al1 Al+3 0.086 0.3556 0.0519 1 0.0
