#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/82/1008216.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_1008216
loop_
_publ_author_name
'Bertaut, E F'
'Corliss, L'
'Forrat, F'
'Aleonard, R'
'Pauthenet, R'
_publ_section_title
;
Etude de niobates et tantalates de metaux transition bivalents
;
_journal_coden_ASTM              JPCSAW
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              234
_journal_page_last               251
_journal_paper_doi               10.1016/0022-3697(61)90103-2
_journal_volume                  21
_journal_year                    1961
_chemical_formula_structural     'Nb2 Mn4 O9'
_chemical_formula_sum            'Mn4 Nb2 O9'
_chemical_name_systematic        'Manganese niobate'
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.335
_cell_length_b                   5.335
_cell_length_c                   14.32
_cell_volume                     353.0
_cod_database_code               1008216
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,1/2+z
x,x-y,1/2+z
y-x,y,1/2+z
-x,-y,-z
y,y-x,-z
x-y,x,-z
y,x,1/2-z
-x,y-x,1/2-z
x-y,-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
Nb1 Nb5+ 4 c 0. 0. 0.3575 1. 0 d
Mn1 Mn2+ 4 d 0.3333 0.6667 0.0181 1. 0 d
Mn2 Mn2+ 4 d 0.3333 0.6667 0.297 1. 0 d
O1 O2- 6 f 0.3 0. 0.25 1. 0 d
O2 O2- 12 g 0.334 0.295 0.0884 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Nb5+ 5.000
Mn2+ 2.000
O2- -2.000
