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#$Date: 2016-01-22 09:42:47 +0200 (Fri, 22 Jan 2016) $
#$Revision: 174781 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/60/1006039.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_1006039
loop_
_publ_author_name
'Mor\'on, M. C.'
'Palacio, F.'
'Rodriguez-Carvajal, J.'
_publ_section_title
;
Neutron powder diffraction experiments on AMnF~4~ (A = K, Rb): nuclear
and magnetic structures
;
_journal_paper_doi               10.1016/0921-4526(92)90681-H
_journal_coden_ASTM              PHYBE3
_journal_name_full               'Physica B: Condensed Matter'
_journal_page_first              125
_journal_page_last               127
_journal_volume                  180
_journal_year                    1992
_chemical_formula_structural     'K (Mn F4)'
_chemical_formula_sum            'F4 K Mn'
_chemical_name_systematic        'Potassium tetrafluoromanganate(III)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.434(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7063(4)
_cell_length_b                   7.6568(3)
_cell_length_c                   5.7889(2)
_cell_volume                     341.6
_refine_ls_R_factor_all          0.049
_cod_database_code               1006039
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,-z
-x,-y,-z
1/2+x,1/2-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
Mn1 Mn3+ 2 a 0. 0. 0. 1. 0 d
Mn2 Mn3+ 2 c 0.5 0. 0. 1. 0 d
F1 F1- 4 e 0.0033(6) 0.2359(6) 0.1150(6) 1. 0 d
F2 F1- 4 e -0.2630(5) -0.0193(3) 0.0952(6) 1. 0 d
F3 F1- 4 e 0.0554(4) -0.0761(5) 0.2884(6) 1. 0 d
F4 F1- 4 e -0.0638(4) 0.5611(5) 0.2883(7) 1. 0 d
K1 K1+ 4 e 0.7458(9) 0.3023(5) 0.4885(7) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn3+ 3.000
F1- -1.000
K1+ 1.000