#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/00/1010070.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_1010070
loop_
_publ_author_name
'Beintema, J'
_publ_section_title
;
On the crystal structure of barium antimonate.
;
_journal_coden_ASTM              PKNAAU
_journal_name_full
;
Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen
;
_journal_page_first              652
_journal_page_last               661
_journal_volume                  39
_journal_year                    1936
_chemical_formula_structural     'BA (H2 O)2 (SB (O H)6 )2'
_chemical_formula_sum            'Ba H16 O14 Sb2'
_chemical_name_systematic        'Barium hexahydroxyantimonate dihydrate'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_H-M   'I 1 2/a 1 S'
_cell_angle_alpha                90
_cell_angle_beta                 87.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.961
_cell_length_b                   12.506
_cell_length_c                   10.129
_cell_volume                     1260.4
_exptl_crystal_density_meas      3.22
_cod_original_formula_sum        'H16 Ba O14 Sb2'
_cod_database_code               1010070
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
1/2-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
-x,1/2-y,1/2-z
x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Ba1 Ba2+ 4 e 0. 0.25 0. 1. 0 d
Sb1 Sb5+ 8 f 0. 0. 0.25 1. 0 d
O1 O2- 8 f -1. -1. -1. 7. 0 dum
H1 H1+ 8 f -1. -1. -1. 8. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
Sb5+ 5.000
O2- -2.000
H1+ 1.000
