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#$Date: 2023-04-14 14:39:52 +0200 (Fri 14 de Apr de 2023) $
#$Revision: 282633 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/00/1000056.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_1000056
loop_
_publ_author_name
'Guette, A.'
'Barret, M.'
'Naslain, R.'
'Hagenmuller, P.'
'Tergenius, L.-E.'
'Lundström, T.'
_publ_section_title
;
 Crystal structure of magnesium heptaboride Mg2B14
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less Common Metals'
_journal_page_first              325
_journal_page_last               334
_journal_paper_doi               10.1016/0022-5088(81)90235-6
_journal_volume                  82
_journal_year                    1981
_chemical_formula_sum            'B14 Mg1.93'
_symmetry_space_group_name_H-M   'I m a m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   5.970(3)
_cell_length_b                   8.125(3)
_cell_length_c                   10.480(5)
_cod_database_code               1000056
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B1 B0 16 j 0.250(1) 0.0407(9) 0.0830(7) 1.
B2 B0 16 j 0.160(1) 0.834(1) 0.0671(6) 1.
B3 B0 8 h 0. 0.181(1) 0.081(1) 1.
B4 B0 8 h 0. -0.028(1) 0.1644(8) 1.
B5 B0 8 h 0. 0.382(1) 0.142(1) 1.
Mg1 Mg0 4 e 0. 0.3664(5) 0.75 0.930(15)
Mg2 Mg0 4 d 0.25 0.25 0.25 1.
