#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/89/1528952.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_1528952
loop_
_publ_author_name
'Verscharen, W.'
'Babel, D.'
_publ_section_title
;
 Roentgen- und Neutronen-Strukturbestimmung des Na2 Mn Fe F7-Typs: eine
 trigonale Weberit-Variante
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              405
_journal_page_last               421
_journal_volume                  24
_journal_year                    1978
_chemical_formula_sum            'F7 Fe Mn Na2'
_chemical_name_systematic        'Na2 Mn Fe F7'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.488
_cell_length_b                   7.488
_cell_length_c                   18.257
_cell_volume                     886.526
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Verscharen_JSSCBI_1978_196.cif
_cod_data_source_block           F7Fe1Mn1Na2
_cod_original_cell_volume        886.5265
_cod_original_formula_sum        'F7 Fe1 Mn1 Na2'
_cod_database_code               1528952
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
y,x,-z
-x,-x+y,-z+1/3
x-y,-y,-z+2/3
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
Mn1 Mn+2 0.4975 0.8365 0.1701 1 0.0
F5 F-1 0.0683 0.3716 0.2709 1 0.0
Fe2 Fe+3 0.3362 0 0.8333 1 0.0
Na1 Na+1 0.5011 0.8683 0.6684 1 0.0
F1 F-1 0.7614 0.1989 0.6039 1 0.0
F2 F-1 0.7963 0.9378 0.9466 1 0.0
F3 F-1 0.559 0.4234 0.0538 1 0.0
F6 F-1 0.1928 0.2433 0.1433 1 0.0
F4 F-1 0.8077 0.4295 0.1899 1 0.0
Fe1 Fe+3 0.3164 0 0.3333 1 0.0
F7 F-1 0.049 0.4294 0.8756 1 0.0
Na2 Na+1 0.8488 0 0.3333 1 0.0
Na3 Na+1 0.8587 0.0374 0.8371 0.5 0.0
