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#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/14/1511436.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_1511436
loop_
_publ_author_name
'Tergenius, L.E.'
_publ_section_title
;
 Refinement of the crystal structure of orthorhombic Mn2 B (formerly
 denoted Mn4 B)
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              335
_journal_page_last               340
_journal_paper_doi               10.1016/0022-5088(81)90236-8
_journal_volume                  82
_journal_year                    1981
_chemical_formula_sum            'B0.988 Mn2'
_chemical_name_systematic        'Mn2 B0.988'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   14.5395
_cell_length_b                   7.2914
_cell_length_c                   4.2082
_cell_volume                     446.125
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            boron0-1_59.cif
_cod_data_source_block           B0.988Mn2
_cod_original_cell_volume        446.1252
_cod_original_sg_symbol_Hall     '-F 2uv 2vw (x+1/8,y+1/8,z+1/8)'
_cod_database_code               1511436
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x,-y+1/2,-z+1/2
-x+1/2,y,-z+1/2
-x+1/4,-y+1/4,-z+1/4
x-1/4,y-1/4,-z+1/4
-x+1/4,y-1/4,z-1/4
x-1/4,-y+1/4,z-1/4
x,y+1/2,z+1/2
-x+1/2,-y+1,z+1/2
x,-y+1,-z+1
-x+1/2,y+1/2,-z+1
-x+1/4,-y+3/4,-z+3/4
x-1/4,y+1/4,-z+3/4
-x+1/4,y+1/4,z+1/4
x-1/4,-y+3/4,z+1/4
x+1/2,y,z+1/2
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1,y,-z+1
-x+3/4,-y+1/4,-z+3/4
x+1/4,y-1/4,-z+3/4
-x+3/4,y-1/4,z+1/4
x+1/4,-y+1/4,z+1/4
x+1/2,y+1/2,z
-x+1,-y+1,z
x+1/2,-y+1,-z+1/2
-x+1,y+1/2,-z+1/2
-x+3/4,-y+3/4,-z+1/4
x+1/4,y+1/4,-z+1/4
-x+3/4,y+1/4,z-1/4
x+1/4,-y+3/4,z-1/4
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
B1 B 0.3755 0 0 0.988 0.0
Mn1 Mn 0.08163 0 0 1 0.0
Mn2 Mn 0 0.33055 0 1 0.0
