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xueguy木虫 (正式写手)
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[求助]
求助一个cif文件，谢谢。 已有1人参与
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| 帮忙下载个CIF文件，83-0974。Sr5(PO4)3Cl。非常感谢。 |
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【答案】应助回帖
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感谢参与，应助指数 +1
xueguy: 金币+10 2026-04-13 10:32:18
感谢参与，应助指数 +1
xueguy: 金币+10 2026-04-13 10:32:18
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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. http://www.paulingfile.com Unique LPF ID Number SD1729756 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 "Sr10(PO4)6Cl2 Crystal Structure" taken from SpringerMaterials (sm_isp_sd_1729756). ; _publ_section_references ;Khattech I., Jemal M.: <i>Thermochemistry of phosphate products. Part I: Standard enthalpy of formation of tristrontium phosphate and strontium chlorapatite</i>. Thermochimica Acta <b>298</b> (1997) 17-21. ; #Phase classification _sm_phase_labels 'Sr5[PO4]3Cl' _chemical_name_mineral '' _sm_chemical_compound_class 'orthophosphate; chloride' _sm_phase_prototype 'Ca5 [PO4 ]3 Cl' _sm_pearson_symbol 'hP42' _symmetry_Int_Tables_number 176 _sm_sample_details ; ; _sm_measurement_details ; ; _sm_interpretation_details ; ; data_sm_isp_SD1729756-standardized_unitcell #Cell Parameters _cell_length_a 9.877 _cell_length_b 9.877 _cell_length_c 7.194 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _sm_length_ratio_ab 1.000 _sm_length_ratio_bc 1.373 _sm_length_ratio_ca 0.728 _cell_volume 607.8 _symmetry_space_group_name_H-M 'P63/m' _symmetry_Int_Tables_number 176 _cell_formula_units_Z 2 _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 O1 'O' .12i .1 0.083 0.333 0.064 1 ? '?' P1 'P' .6h .m.. 0.055 0.416 0.25 1 ? '?' O2 'O' .6h .m.. 0.133 0.6 0.25 1 ? '?' Sr1 'Sr' .6h .m.. 0.247 0.25 0.25 1 ? '?' O3 'O' .6h .m.. 0.5 0.167 0.25 1 ? '?' Sr2 'Sr' .4f .3.. 0.333333333333333 0.666666666666667 0 1 ? '?' Cl1 'Cl' .2b .-3.. 0 0 0 1 ? '?' data_sm_isp_SD1729756-published_cell #Cell Parameters _cell_length_a 9.877(3) _cell_length_b 9.877(3) _cell_length_c 7.194(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _sm_length_ratio_ab 1.000 _sm_length_ratio_bc 1.373 _sm_length_ratio_ca 0.728 _cell_volume 607.79 _symmetry_space_group_name_H-M 'P63/m' _symmetry_Int_Tables_number 176 _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_SD1729756-niggli_reduced_cell #Cell Parameters _cell_length_a 7.194 _cell_length_b 9.877 _cell_length_c 9.877 _cell_angle_alpha 120 _cell_angle_beta 90 _cell_angle_gamma 90 _sm_length_ratio_ab 0.728 _sm_length_ratio_bc 1.000 _sm_length_ratio_ca 1.373 _cell_volume 607.79 _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 ? ? ? ? ? ? ? ? ? ? |
2楼2026-04-11 00:16:36
xueguy
木虫 (正式写手)
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3楼2026-04-13 10:33:17