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[求助]
求cif，网址为https://materials.springer.com/isp/crystallographic/docs/sd_0531740 已有1人参与
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| 谢谢各位神仙，求cif，很急！拜托了！ |
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文件名sm_isp_sd_0531740_download，将下面内容粘贴到txt，并将后缀名修改为cif ##CIF_1.1 data_sm_global #Used dictionaries loop_ _audit_conform_dict_name _audit_conform_dict_version _audit_conform_dict_location cif_core.dic 2.4.2 . cif_pd.dic 1.0.1 . cif_sm.dic 0.1 'redaktion.landolt-boernstein(at)springer.com' #About this content and reference _sm_credits_copyright ;PAULING FILE Multinaries Edition - 2012. SpringerMaterials Release 2014. http://www.paulingfile.com Unique LPF ID Number SD0531740 Project Coordinator: Shuichi Iwata Section-Editors: Karin Cenzual (Crystal Structures), Hiroaki Okamoto (Phase Diagrams), Fritz Hulliger (Physical Properties) (c) Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan 2014. (Data generated pre-2002: (c) Springer & MPDS & NIMS; post-2001: (c) Springer & MPDS) All Rights Reserved. Version 2014.06. ; _audit_creation_method ;This data have been compiled from the crystallographic datasheet for "β'CoS1.097 (Co7S8 ht) Crystal Structure" taken from SpringerMaterials (sm_isp_sd_0531740). ; _publ_section_references ;Kuznetsov V.G., Sokolova M.A., Palkina K.K., Popova Z.V.: <i>The cobalt-sulfur system</i>. Inorganic Materials (translated from Neorganicheskie Materialy) <b>1</b> (1965) 617-632. ; #Phase classification _sm_phase_labels 'Co7S8 ht' _chemical_name_mineral '' _sm_chemical_compound_class 'sulfide' _sm_phase_prototype 'Fe7 Se8 ' _sm_pearson_symbol 'hP45' _symmetry_Int_Tables_number 152 _sm_sample_details ;sample prepared from Co, S, chemical analysis, powder (determination of cell parameters) ; _sm_measurement_details ;film (determination of cell parameters), X-rays, Fe Kα (determination of cell parameters) ; _sm_interpretation_details ;cell parameters determined ; data_sm_isp_SD0531740-standardized_unitcell #Cell Parameters _cell_length_a 10.1 _cell_length_b 10.1 _cell_length_c 15.48 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _sm_length_ratio_ab 1.000 _sm_length_ratio_bc 0.652 _sm_length_ratio_ca 1.533 _cell_volume 1367.55 _symmetry_space_group_name_H-M 'P63/mmc' _symmetry_Int_Tables_number 194 _cell_formula_units_Z 27 _sm_cell_transformation ;No transformation from published to standardized cell parameters necessary. ; #Atom Coordinates loop_ _atom_site_label _atom_site_type_symbol _atom_site_Wyckoff_symbol _sm_site_symmetry _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _sm_coordination_number _sm_atomic_environment_type ? ? ? ? ? ? ? ? ? ? data_sm_isp_SD0531740-published_cell #Cell Parameters _cell_length_a 10.1 _cell_length_b 10.1 _cell_length_c 15.48 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _sm_length_ratio_ab 1.000 _sm_length_ratio_bc 0.652 _sm_length_ratio_ca 1.533 _cell_volume 1367.55 _symmetry_space_group_name_H-M 'P63/mmc' _symmetry_Int_Tables_number 194 _cell_formula_units_Z 27 #Atom Coordinates loop_ _atom_site_label _atom_site_type_symbol _atom_site_Wyckoff_symbol _sm_site_symmetry _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _sm_coordination_number _sm_atomic_environment_type ? ? ? ? ? ? ? ? ? ? data_sm_isp_SD0531740-niggli_reduced_cell #Cell Parameters _cell_length_a 10.1 _cell_length_b 10.1 _cell_length_c 15.48 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _sm_length_ratio_ab 1.000 _sm_length_ratio_bc 0.652 _sm_length_ratio_ca 1.533 _cell_volume 1367.55 _symmetry_space_group_name_H-M '' _symmetry_Int_Tables_number ? _cell_formula_units_Z 27 #Atom Coordinates loop_ _atom_site_label _atom_site_type_symbol _atom_site_Wyckoff_symbol _sm_site_symmetry _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _sm_coordination_number _sm_atomic_environment_type ? ? ? ? ? ? ? ? ? ? data_sm_isp_SD0531740-powder_pattern #Powder Pattern #Note: Powder patterns are provided using custom cif-fields! loop_ _sm_powderpattern_unit_published_line _sm_powderpattern_value_published_line _sm_powderpattern_unit_computed_line _sm_powderpattern_value_computed_line _sm_powderpattern_intensity _sm_powderpattern_miller_indices_h _sm_powderpattern_miller_indices_k _sm_powderpattern_miller_indices_l _sm_powderpattern_radiation _sm_powderpattern_remark 'd' 5.40 'd' 0.5400 2 1 0 2 'Fe Kα' '' 'd' 4.60 'd' 0.4600 2 1 0 3 'Fe Kα' '' 'd' 3.20 'd' 0.3200 3.5 2 1 1 'Fe Kα' '' 'd' 2.891 'd' 0.2891 18 3 0 0 'Fe Kα' 'additional indices 2 0 4, 3 0 1' 'd' 2.789 'd' 0.2789 2 2 1 3 'Fe Kα' '' 'd' 2.523 'd' 0.2523 35 3 0 3 'Fe Kα' 'additional indices 2 0 5, 2 2 0, 2 1 4' 'd' 2.254 'd' 0.2254 3.5 2 1 5 'Fe Kα' '' 'd' 2.195 'd' 0.2195 3.5 3 0 5 'Fe Kα' '' 'd' 1.931 'd' 0.1931 100 0 0 8 'Fe Kα' 'additional indices 3 0 6' 'd' 1.854 'd' 0.1854 3.5 4 1 2 'Fe Kα' '' 'd' 1.792 'd' 0.1792 2 4 1 3 'Fe Kα' 'additional indices 4 0 5' 'd' 1.744 'd' 0.1744 3.5 5 0 0 'Fe Kα' '' 'd' 1.679 'd' 0.1679 55 3 3 0 'Fe Kα' 'additional indices 3 3 1' 'd' 1.655 'd' 0.1655 2 5 0 3 'Fe Kα' 'additional indices 4 2 0' 'd' 1.551 'd' 0.1551 2 0 0 10 'Fe Kα' '' 'd' 1.479 'd' 0.1479 6 3 0 9 'Fe Kα' 'additional indices 1 1 10' 'd' 1.459 'd' 0.1459 3.5 2 0 10 'Fe Kα' 'additional indices 4 2 5, 6 0 0, 5 1 4' 'd' 1.428 'd' 0.1428 2 4 3 1 'Fe Kα' '' 'd' 1.402 'd' 0.1402 10 3 1 9 'Fe Kα' 'additional indices 6 0 3, 2 1 10, 5 1 5, 5 2 0' 'd' 1.367 'd' 0.1367 3.5 3 0 10 'Fe Kα' 'additional indices 6 0 4' 'd' 1.322 'd' 0.1322 2 2 2 10 'Fe Kα' 'additional indices 6 0 5' 'd' 1.291 'd' 0.1291 6 0 0 12 'Fe Kα' '' 'd' 1.269 'd' 0.1269 55 6 0 6 'Fe Kα' 'additional indices 3 0 11' 'd' 1.241 'd' 0.1241 1 2 1 12 'Fe Kα' 'diffuse' 'd' 1.210 'd' 0.1210 2 6 2 1 'Fe Kα' '' 'd' 1.182 'd' 0.1182 2 4 0 11 'Fe Kα' 'additional indices 5 2 7, 6 2 3, 3 0 12' 'd' 1.116 'd' 0.1116 3.5 5 4 1 'Fe Kα' 'additional indices 6 0 9' 'd' 1.105 'd' 0.1105 3.5 4 3 9 'Fe Kα' 'additional indices 5 1 10, 3 0 13, 6 3 0' 'd' 1.090 'd' 0.1090 2 6 3 2 'Fe Kα' 'additional indices 7 0 7' 'd' 1.079 'd' 0.1079 18 6 3 3 'Fe Kα' '' 'd' 1.063 'd' 0.1063 3.5 6 2 7 'Fe Kα' 'additional indices 6 0 10' 'd' 1.039 'd' 0.1039 3.5 5 2 10 'Fe Kα' 'additional indices 5 0 12, 6 3 5' 'd' 1.026 'd' 0.1026 55 1 0 15 'Fe Kα' 'additional indices 3 2 13, 3 3 12' 'd' 1.015 'd' 0.1015 100 6 3 6 'Fe Kα' '' 'd' 0.990 'd' 0.0990 2 8 1 4 'Fe Kα' 'additional indices 7 2 6' 'd' 0.973 'd' 0.0973 3.5 7 0 10 'Fe Kα' 'additional indices 8 1 5, 9 0 0' |
2楼2020-01-03 18:37:56