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 ; ' 929' ; _chemical_formula_sum 'Mg16 Si8 O32' _chemical_formula_weight 1125.545 _cell_length_a 5.7321(1) _cell_length_b 11.4998(2) _cell_length_c 8.3163(2) _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_volume 548.2(0) _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 0.41(4) Mg2 Mg 0.0000 0.2500 0.9697(5) 1.000 4 e ? d Biso 0.41(4) Mg3 Mg 0.2500 0.1301(5) 0.2500 1.000 8 g ? d Biso 0.41(4) Si1 Si 0.0000 0.1188(3) 0.6163(4) 1.000 8 h ? d Biso 0.41(4) O1 O 0.0000 0.2500 0.2164(10) 1.000 4 e ? d Biso 0.41(4) O2 O 0.0000 0.2500 0.7147(10) 1.000 4 e ? d Biso 0.41(4) O3 O 0.0000 0.9907(4) 0.2538(10) 1.000 8 h ? d Biso 0.41(4) O4 O 0.2639(6) 0.1235(13) 0.9939(5) 1.000 16 j ? d Biso 0.41(4)