###############################################################################
# Schimmel,  H.G.;Huot, J.;Chapon, L.C.;Tichelaar, F.D.;Mulder, F.M. (2005)
# Journal of the American Chemical Society 127, 14348-14354
# Hydrogen cycling of niobium and vanadium catalyzed nanostructured mag\
#nesium
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################

data_170902-ICSD
_database_code_ICSD                170902
_audit_creation_date               2006-04-01
_chemical_name_systematic
'Magnesium'
_chemical_formula_structural       
'Mg'
_chemical_formula_sum              
'Mg1'
_publ_section_title                
'Mg1'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of the American Chemical Society' 2005 127 14348 14354 JACSAT
loop_
_publ_author_name
Schimmel,  H.G.;Huot, J.;Chapon, L.C.;Tichelaar, F.D.;Mulder, F.M.
_cell_length_a                     3.23439
_cell_length_b                     3.23439
_cell_length_c                     5.25266
_cell_angle_alpha                  90.0
_cell_angle_beta                   90.0
_cell_angle_gamma                  120.0
_cell_volume                       47.58
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
 1 'x,y,z'
 2 'x-y,-y,-z'
 3 'x-y,-y,1/2+z'
 4 '-y,x-y,1/2-z'
 5 '-y,x-y,z'
 6 'x,x-y,1/2-z'
 7 'x,x-y,z'
 8 'x-y,x,-z'
 9 'x-y,x,1/2+z'
 10 'y,x,-z'
 11 'y,x,1/2+z'
 12 'x,y,1/2-z'
 13 '-x,-y,-z'
 14 '-x+y,y,z'
 15 '-x+y,y,1/2-z'
 16 'y,-x+y,1/2+z'
 17 'y,-x+y,-z'
 18 '-x,-x+y,1/2+z'
 19 '-x,-x+y,-z'
 20 '-x+y,-x,z'
 21 '-x+y,-x,1/2-z'
 22 '-y,-x,z'
 23 '-y,-x,1/2-z'
 24 '-x,-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mg0+     0.
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_B_iso_or_equiv
_atom_site_occupancy
Mg1 Mg0+ 2 c 0.33333 0.66667 0.25 0.0334(18) 1.0
#End of data_170902-ICSD
