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wangdew690木虫 (小有名气)
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[求助]
求助NH4V4O10 的cif文件 已有1人参与
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| 求助NH4V4O10 的cif文件：https://materials.springer.com/i ... hic/docs/sd_0377544 |
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rlafite
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【答案】应助回帖
感谢参与，应助指数 +1
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##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. https://www.paulingfile.com Unique LPF ID Number SD0377544 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 "NH4V4O10 ([NH4]V4O10) Crystal Structure" taken from SpringerMaterials (sm_isp_sd_0377544). ; _publ_section_references ;Vidonne A., Theobald F., Bernard J.: <i>Un nouveau vanadate(IV) vanadate(V) d'ammonium</i>. Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques <b>272</b> (1971) 1039-1041 (in French). ; #Phase classification _sm_phase_labels '[NH4]V4O10' _chemical_name_mineral '' _sm_chemical_compound_class 'oxide' _sm_phase_prototype 'Tl0.96 V4 O10 ' _sm_pearson_symbol 'mS30' _symmetry_Int_Tables_number 12 _sm_sample_details ;powder (determination of cell parameters) ; _sm_measurement_details ;film (determination of cell parameters), X-rays, Cu Kα (determination of cell parameters) ; _sm_interpretation_details ;cell parameters determined ; data_sm_isp_SD0377544-standardized_unitcell #Cell Parameters _cell_length_a 11.12 _cell_length_b 3.64 _cell_length_c 11.54 _cell_angle_alpha 90 _cell_angle_beta 112 _cell_angle_gamma 90 _sm_length_ratio_ab 3.055 _sm_length_ratio_bc 0.315 _sm_length_ratio_ca 1.038 _cell_volume 433.1 _symmetry_space_group_name_H-M '' _symmetry_Int_Tables_number ? _cell_formula_units_Z 2 _sm_cell_transformation ;new axes c,-b,a ; #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_SD0377544-published_cell #Cell Parameters _cell_length_a 11.54(8) _cell_length_b 3.64(1) _cell_length_c 11.12(8) _cell_angle_alpha 90 _cell_angle_beta 112(2) _cell_angle_gamma 90 _sm_length_ratio_ab 3.170 _sm_length_ratio_bc 0.327 _sm_length_ratio_ca 0.964 _cell_volume 433.09 _symmetry_space_group_name_H-M '' _symmetry_Int_Tables_number ? _cell_formula_units_Z 2 #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_SD0377544-niggli_reduced_cell #Cell Parameters _cell_length_a 3.64 _cell_length_b 11.12 _cell_length_c 11.54 _cell_angle_alpha 112 _cell_angle_beta 90 _cell_angle_gamma 90 _sm_length_ratio_ab 0.327 _sm_length_ratio_bc 0.964 _sm_length_ratio_ca 3.170 _cell_volume 433.09 _symmetry_space_group_name_H-M '' _symmetry_Int_Tables_number ? _cell_formula_units_Z 2 #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_SD0377544-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' 10.3 'd' 1.0300 9 0 0 1 'Cu Kα' 'diffuse' 'd' 5.4 'd' 0.5400 1 2 0 0 'Cu Kα' 'diffuse' 'd' 3.44 'd' 0.3440 8 0 0 3 'Cu Kα' 'diffuse' 'd' 3.39 'd' 0.3390 1 1 1 1 'Cu Kα' 'diffuse' 'd' 3.17 'd' 0.3170 2 2 0 2 'Cu Kα' 'diffuse' 'd' 2.87 'd' 0.2870 1 4 0 -1 'Cu Kα' '' 'd' 2.71 'd' 0.2710 1 1 1 2 'Cu Kα' '' 'd' 2.67 'd' 0.2670 1 4 0 0 'Cu Kα' '' 'd' 2.64 'd' 0.2640 1 3 1 -1 'Cu Kα' '' 'd' 2.58 'd' 0.2580 6 0 0 4 'Cu Kα' '' 'd' 2.55 'd' 0.2550 1 3 1 0 'Cu Kα' '' 'd' 1.96 'd' 0.1960 1 1 1 4 'Cu Kα' '' 'd' 1.94 'd' 0.1940 6 5 1 -2 'Cu Kα' '' 'd' 1.92 'd' 0.1920 1 6 0 -2 'Cu Kα' '' 'd' 1.83 'd' 0.1830 1 3 1 3 'Cu Kα' '' 'd' 1.82 'd' 0.1820 10 0 2 0 'Cu Kα' 'additional indices 6 0 -4' 'd' 1.79 'd' 0.1790 2 0 2 1 'Cu Kα' '' 'd' 1.54 'd' 0.1540 2 4 2 -1 'Cu Kα' 'additional indices 4 2 -2' 'd' 1.50 'd' 0.1500 7 4 2 0 'Cu Kα' '' |
2楼2024-03-21 12:57:21
wangdew690
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3楼2024-03-21 14:58:39
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