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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/65/2106589.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106589
loop_
_publ_author_name
'Shoemaker, C.B.'
'Shoemaker, D.P.'
_publ_section_title
;
 Crystal structure of Mn5 Si2 and the d phase (V-Fe-Si)*
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2306
_journal_page_last               2313
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Mn5 Si2'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.9097
_cell_length_b                   8.9097
_cell_length_c                   8.7153
_cell_volume                     691.845
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Shoemaker_ACBCAR_1976_113.cif
_cod_data_source_block           Mn5Si2
_cod_original_cell_volume        691.8445
_cod_database_code               2106589
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+3/4
x+1/2,-y+1/2,-z+3/4
y,x,-z
-x+1/2,y+1/2,-z+1/4
-y,-x,-z+1/2
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
Mn5 Mn 0.36946 0.45348 0.2138 1 0.0
Mn4 Mn 0.45162 0.45162 0.5 1 0.0
Mn2 Mn 0.17466 0.22408 0.15031 1 0.0
Si1 Si 0.46925 0.26766 0.04582 1 0.0
Mn6 Mn 0.39882 0.01027 0.0758 1 0.0
Mn3 Mn 0.13799 0.13799 0.5 1 0.0
Si2 Si 0.38473 0.19232 0.60242 1 0.0
Mn1 Mn 0.42038 0.18554 0.32968 1 0.0
