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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/09/1530956.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_1530956
loop_
_publ_author_name
'Vincent, H.'
'Turrillas, X.M.'
'Rasines, I.'
_publ_section_title
;
 A novel structure type of hexagonal closest packing: The ternary oxide,
 beta Mn Sb2 O6
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1369
_journal_page_last               1379
_journal_volume                  22
_journal_year                    1987
_chemical_formula_sum            'Mn O6 Sb2'
_chemical_name_systematic        'Mn (Sb2 O6)'
_space_group_IT_number           143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.8056
_cell_length_b                   8.8056
_cell_length_c                   4.7232
_cell_volume                     317.165
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Vincent_MRBUAC_1987_1442.cif
_cod_data_source_block           Mn1O6Sb2
_cod_original_cell_volume        317.1647
_cod_original_formula_sum        'Mn1 O6 Sb2'
_cod_database_code               1530956
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,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
Sb3 Sb+5 0 0 0.5069 1 0.0
O5 O-2 0.8815 0.4091 0.7797 1 0.0
Mn1 Mn+2 0.0001 0.63166 0.5067 1 0.0
O4 O-2 0.892 0.1044 0.7451 1 0.0
Sb4 Sb+5 0.3333 0.6667 0.0137 1 0.0
O2 O-2 0.4721 0.5894 0.2361 1 0.0
Sb1 Sb+5 0.69557 0.69557 0.00681 1 0.0
Sb2 Sb+5 0.66667 0.33333 0 1 0.0
O6 O-2 0.5545 0.7747 0.7908 1 0.0
O1 O-2 0.7752 0.5545 0.2264 1 0.0
O3 O-2 0.7876 0.8963 0.2715 1 0.0
