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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/68/1526829.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_1526829
loop_
_publ_author_name
'Tobola, J.'
'Bacmann, M.'
'Fruchart, D.'
'Kaprzyk, S.'
'Wolfers, P.'
'Koumina, A.A.'
_publ_section_title
;
 Structure and magnetism in the polymorphous Mn Fe As
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              274
_journal_page_last               279
_journal_volume                  317
_journal_year                    2001
_chemical_formula_sum            'As Fe Mn'
_chemical_name_systematic        'Mn Fe As'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.263
_cell_length_b                   6.263
_cell_length_c                   3.544
_cell_volume                     120.390
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Tobola_JALCEU_2001_1216.cif
_cod_data_source_block           As1Fe1Mn1
_cod_original_cell_volume        120.3896
_cod_original_formula_sum        'As1 Fe1 Mn1'
_cod_database_code               1526829
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-x+y,-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
Fe1 Fe 0.2557 0 0 1 0.0
As1 As 0.3333 0.6667 0 1 0.0
As2 As 0 0 0.5 1 0.0
Mn1 Mn 0.59 0 0.5 1 0.0
