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#$Date: 2017-08-02 18:38:43 +0300 (Wed, 02 Aug 2017) $
#$Revision: 199471 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/62/2106231.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_2106231
loop_
_publ_author_name
'Ahmed, A.H.M.'
'Dent Glasser, L.S.'
_publ_section_title
;
 Barium aluminate hydrates. II. The crystal structure of Ba2 (Al2 (O H)10)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              867
_journal_page_last               871
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'Al2 Ba2 H10 O10'
_chemical_name_systematic        'Ba2 (Al2 (O H)10)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.07
_cell_angle_beta                 98.42
_cell_angle_gamma                109.6
_cell_formula_units_Z            1
_cell_length_a                   6.704
_cell_length_b                   5.758
_cell_length_c                   6.179
_cell_volume                     221.953
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Ahmed_ACBCAR_1970_1783.cif
_cod_data_source_block           H10Al2Ba2O10
_cod_original_cell_volume        221.9525
_cod_original_formula_sum        'H10 Al2 Ba2 O10'
_cod_database_code               2106231
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-02
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
_atom_site_attached_hydrogens
Al1 Al+3 0.318 0.346 0.826 1 0.0 0
Ba1 Ba+2 0.037 0.2761 0.2943 1 0.0 0
O1 O-2 0.278 0.084 0.029 1 0.0 1
O2 O-2 0.306 0.141 0.591 1 0.0 1
O3 O-2 0.339 0.618 0.653 1 0.0 1
O4 O-2 0.018 0.294 0.768 1 0.0 1
O5 O-2 0.63 0.431 0.911 1 0.0 1
