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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/18/1521860.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_1521860
loop_
_publ_author_name
'Roisnel, T.'
'Nunez, P.'
'Tressaud, A.'
'Molins, E.'
'Rodriguez-Carvajal, J.'
_publ_section_title
;
 Investigation of K2 Mn F5 . (H2 O) by neutron diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              104
_journal_page_last               111
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'F5 H2 K2 Mn O'
_chemical_name_systematic        'K2 (Mn F5) (H2 O)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.35
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.881
_cell_length_b                   8.127
_cell_length_c                   6.259
_cell_volume                     297.313
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Roisnel_JSSCBI_2000_1765.cif
_cod_data_source_block           H2F5K2Mn1O1
_cod_original_cell_volume        297.3129
_cod_original_formula_sum        'H2 F5 K2 Mn1 O1'
_cod_database_code               1521860
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,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
K1 K+1 0.1047 0.25 0.549 1 0.0
O1 O-2 0.5867 0.25 0.5643 1 0.0
H1 H+1 0.6354 0.1558 0.6312 1 0.0
F1 F-1 0.184 0.0257 0.264 1 0.0
Mn1 Mn+3 0 0 0 1 0.0
K2 K+1 0.5001 0.25 0.1207 1 0.0
F3 F-1 -0.071 0.25 -0.0106 1 0.0
F2 F-1 0.254 0.0324 0.8514 1 0.0
