data_Wadsleyite
_audit_creation_method	'Created with CONVERT.DLL (www.crystalimpact.com)'
_audit_creation_date	2011-09-04
_audit_update_record	2011-09-04
_journal_coden_ASTM	?
_journal_year	?
_journal_volume	?
_journal_page_first	?
_journal_page_last	?
_publ_author_name	'?,'
_publ_section_title
;
' 297'
;
_chemical_formula_sum	'Mg2 Si O4'
_chemical_formula_structural	'Mg16Si8O32'
_chemical_formula_analytical	'Mg2SiO4'
_chemical_name_common
;
wadsleyite
;
_chemical_compound_source
;
Multianvil facility at BGI
;
_chemical_formula_weight	140.693
_cell_length_a	 5.7016(1)
_cell_length_b	11.4427(2)
_cell_length_c	 8.2491(1)
_cell_angle_alpha	90.000
_cell_angle_beta	90.000
_cell_angle_gamma	90.000
_cell_volume	538.2(0)
_cell_formula_units_Z	8
_symmetry_int_tables_number	74
_symmetry_space_group_name_H-M	'I m m a'
_symmetry_space_group_name_Hall	'-I_2b_2'

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,0.500-y,z
3 x,-y,-z
4 -x,0.500+y,-z
5 -x,-y,-z
6 x,0.500+y,-z
7 -x,y,z
8 x,0.500-y,z
9 0.500+x,0.500+y,0.500+z
10 0.500-x,1.000-y,0.500+z
11 0.500+x,0.500-y,0.500-z
12 0.500-x,1.000+y,0.500-z
13 0.500-x,0.500-y,0.500-z
14 0.500+x,1.000+y,0.500-z
15 0.500-x,0.500+y,0.500+z
16 0.500+x,1.000-y,0.500+z

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Mg	?	1.200
Si	?	1.200
O	?	1.200


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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
Mg1 Mg  0.0000  0.0000  0.0000  1.000 4 a ? d Biso  0.12(4)
Mg2 Mg  0.0000  0.2500  0.9726(4)  1.000 4 e ? d Biso  0.12(4)
Mg3 Mg  0.2500  0.1286(4)  0.2500  1.000 8 g ? d Biso  0.12(4)
Si1 Si  0.0000  0.1187(3)  0.6175(4)  1.000 8 h ? d Biso  0.12(4)
O1 O  0.0000  0.2500  0.2177(9)  1.000 4 e ? d Uiso  0.12(4)
O2 O  0.0000  0.2500  0.7179(9)  1.000 4 e ? d Uiso  0.12(4)
O3 O  0.0000  0.9929(4)  0.2548(9)  1.000 8 h ? d Uiso  0.12(4)
O4 O  0.2624(5)  0.1227(12)  0.9945(4)  1.000 16 j ? d Uiso  0.12(4)