#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/00/1010069.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_1010069
loop_
_publ_author_name
'Beintema, J'
_publ_section_title
;
On the crystal-structure of magnesium- and nickelantimonate.
;
_journal_coden_ASTM              PKNAAU
_journal_name_full
;
Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen
;
_journal_page_first              241
_journal_page_last               252
_journal_volume                  39
_journal_year                    1936
_chemical_formula_structural     'MG (H2 O)6 (SB (O H)6 )2'
_chemical_formula_sum            'H24 Mg O18 Sb2'
_chemical_name_systematic        'Magnesium hexahydroxyantimonate hexahydrate'
_space_group_IT_number           162
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   16.079
_cell_length_b                   16.079
_cell_length_c                   9.841
_cell_volume                     2203.4
_exptl_crystal_density_meas      2.6
_cod_database_code               1010069
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
y,x,z
-x,y-x,z
x-y,-y,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
-y,-x,-z
x,x-y,-z
y-x,y,-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
Mg1 Mg2+ 6 k 0.3333 0. 0. 1. 0 d
Sb1 Sb5+ 1 a 0. 0. 0. 1. 0 d
Sb2 Sb5+ 1 b 0. 0. 0.5 1. 0 d
Sb3 Sb5+ 2 c 0.3333 0.6667 0. 1. 0 d
Sb4 Sb5+ 2 d 0.3333 0.6667 0.5 1. 0 d
Sb5 Sb5+ 6 k 0.3333 0. 0.5 1. 0 d
O1 O2- 6 k 0.1111 0. 0.125 1. 0 d
O2 O2- 6 ? -1. -1. -1. 17. 0 dum
H1 H1+ 12 l -1. -1. -1. 12. 0 dum
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mg2+ 2.000
Sb5+ 5.000
O2- -2.000
H1+ 1.000
