#------------------------------------------------------------------------------
#$Date: 2016-02-19 15:29:56 +0100 (vie 19 de feb de 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/27/2002703.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_2002703
loop_
_publ_author_name
'Kluever, E'
'Mueller-Buschbaum, Hk'
_publ_section_title              'Ein neues Mangan(II)-Oxowolframat: Mn3 W O6'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              733
_journal_page_last               736
_journal_paper_doi               10.1002/zaac.19946200425
_journal_volume                  620
_journal_year                    1994
_chemical_formula_structural     'Mn3 (W O6)'
_chemical_formula_sum            'Mn3 O6 W'
_chemical_name_systematic        'Trimanganese tungstate'
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.8931(18)
_cell_length_b                   8.8931(18)
_cell_length_c                   10.4782(19)
_cell_volume                     717.7
_refine_ls_R_factor_all          0.05
_cod_original_sg_symbol_H-M      'R -3 H'
_cod_database_code               2002703
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
1/3+x,2/3+y,2/3+z
2/3+x,1/3+y,1/3+z
1/3-y,2/3+x-y,2/3+z
2/3-y,1/3+x-y,1/3+z
1/3-x+y,2/3-x,2/3+z
2/3-x+y,1/3-x,1/3+z
1/3-x,2/3-y,2/3-z
2/3-x,1/3-y,1/3-z
1/3+y,2/3-x+y,2/3-z
2/3+y,1/3-x+y,1/3-z
1/3+x-y,2/3+x,2/3-z
2/3+x-y,1/3+x,1/3-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
Mn1 Mn2+ 18 f 0.2680(3) 0.0392(3) 0.2903(2) 1. 0 d
W1 W6+ 3 a 0. 0. 0. 1. 0 d
W2 W6+ 3 b 0. 0. 0.5 1. 0 d
O1 O2- 18 f 0.356(1) 0.505(1) 0.055(1) 1. 0 d
O2 O2- 18 f 0.525(1) 0.693(1) 0.765(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn2+ 2.000
W6+ 6.000
O2- -2.000
