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know_snow木蟲(chóng) (著名寫手)
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[求助]
求助CoMn2O4的CIF文件
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求助CoMn2O4的CIF文件 [ 來(lái)自科研家族 晶體材料家族 ] |
MD分子動(dòng)力學(xué) |
至尊木蟲(chóng) (職業(yè)作家)
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data_39197-ICSD _database_code_ICSD 39197 _audit_creation_date 1986/12/03 _audit_update_record 2007/04/01 _chemical_name_systematic 'Cobalt Dimanganese(III) Oxide' _chemical_formula_structural 'Co Mn2 O4' _chemical_formula_sum 'Co1 Mn2 O4' _publ_section_title ; Preparation by a wet method and ionic distribution of transition metal-substituted Hausmannite spinel. ; loop_ _citation_id _citation_journal_abbrev _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary ; Funtai Oyobi Funmatsu Yakin (= Journal of the Japan Society of Powder Metallurgy) ; 1983 30 48 54 FOFUA2 2 'Journal of Physics and Chemistry of Solids' 1962 23 711 727 JPCSAW 3 'Journal of the Physical Society of Japan' 1962 17 53 61 JUPSAU _publ_author_name ; Yamamoto, N.;Kawano, S.;Achiwa, N.;Higashi, S. ; _cell_length_a 5.784 _cell_length_b 5.784 _cell_length_c 9.091 _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 304.14 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'I 41/a m d S' _symmetry_Int_Tables_number 141 _refine_ls_R_factor_all 0.13 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'y, -x+1/2, z+1/4' 2 '-y, x+1/2, z+1/4' 3 'y, -x, -z' 4 '-y, x, -z' 5 '-y, -x+1/2, z+1/4' 6 'y, x+1/2, z+1/4' 7 '-y, -x, -z' 8 'y, x, -z' 9 'x, -y+1/2, -z+1/4' 10 '-x, y+1/2, -z+1/4' 11 'x, -y, z' 12 '-x, y, z' 13 '-x, -y+1/2, -z+1/4' 14 'x, y+1/2, -z+1/4' 15 '-x, -y, z' 16 'x, y, z' 17 'y+1/2, -x, z+3/4' 18 '-y+1/2, x, z+3/4' 19 'y+1/2, -x+1/2, -z+1/2' 20 '-y+1/2, x+1/2, -z+1/2' 21 '-y+1/2, -x, z+3/4' 22 'y+1/2, x, z+3/4' 23 '-y+1/2, -x+1/2, -z+1/2' 24 'y+1/2, x+1/2, -z+1/2' 25 'x+1/2, -y, -z+3/4' 26 '-x+1/2, y, -z+3/4' 27 'x+1/2, -y+1/2, z+1/2' 28 '-x+1/2, y+1/2, z+1/2' 29 '-x+1/2, -y, -z+3/4' 30 'x+1/2, y, -z+3/4' 31 '-x+1/2, -y+1/2, z+1/2' 32 'x+1/2, y+1/2, z+1/2' loop_ _atom_type_symbol _atom_type_oxidation_number Co2+ 2 Co3+ 3 Mn2+ 2 Mn3+ 3 O2- -2 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 _atom_site_attached_hydrogens _atom_site_B_iso_or_equiv Co1 Co2+ 4 a 0 0 0 0.84 0 1. Mn1 Mn2+ 4 a 0 0 0 0.16 0 1. Co2 Co3+ 8 d 0 0.25 0.625 0.08 0 1. Mn2 Mn3+ 8 d 0 0.25 0.625 0.92 0 1. O1 O2- 16 h 0 0.23 0.39 1. 0 1. #End of data_39197-ICSD |

金蟲(chóng) (初入文壇)

金蟲(chóng) (初入文壇)

金蟲(chóng) (初入文壇)

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