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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/66/2106605.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_2106605
loop_
_publ_author_name
'Thillier-Chevin, F.'
'Maraine, P.'
'Perez, G.'
_publ_section_title
;
 Structure de l'Antimoniate de Baryum Ba Sb3 O5 (O H)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              11
_journal_page_last               15
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Ba H O6 Sb3'
_chemical_name_systematic        'Ba Sb3 O5 (O H)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.69
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.974
_cell_length_b                   5.714
_cell_length_c                   14.195
_cell_volume                     715.251
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Thillier-Chevin_ACBCAR_1981_21.cif
_cod_data_source_block           H1Ba1O6Sb3
_cod_original_cell_volume        715.2509
_cod_original_formula_sum        'H1 Ba1 O6 Sb3'
_cod_database_code               2106605
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
Sb1 Sb+3 0.3223 0.1945 0.2985 1 0.0
O4 O-2 0.229 0.0181 0.0558 1 0.0
O5 O-2 0.1758 0.4323 0.2426 1 0.0
O3 O-2 0.2414 0.1174 0.4154 1 0.0
Ba1 Ba+2 0.0586 0.6846 0.382 1 0.0
O2 O-2 0.0386 0.6751 0.0704 1 0.0
Sb2 Sb+3 0.3941 0.2314 0.0313 1 0.0
Sb3 Sb+3 0.2398 0.7168 0.1517 1 0.0
O6 O-2 0.169 0.9283 0.24 1 0.0
O1 O-2 0.4335 0.448 0.4144 1 0.0
