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jiajia529445新虫 (小有名气)
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[求助]
急急，求助ZIF—67和ZIF—8的xrd标准卡片，感谢感谢 已有4人参与
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急急，求助ZIF—67和ZIF—8的xrd标准卡片，感谢感谢 邮箱768741345@qq.com 感谢感谢 发自小木虫Android客户端 |
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【答案】应助回帖
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#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/7/22/22/7222297.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7222297 Transition from ZIF-L-Co to ZIF-67: a new insight into the structural evolution of zeolitic imidazolate frameworks (ZIFs) in aqueous systems ; _journal_issue 43 _journal_name_full CrystEngComm _journal_page_first 8212 _journal_paper_doi 10.1039/C5CE01531F _journal_volume 17 _journal_year 2015 _chemical_formula_sum 'C250.33 H239.03 Co24 N125.16 O93.65' _space_group_IT_number 55 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 64 _symmetry_space_group_name_Hall '-P 2bc 2' _symmetry_space_group_name_H-M 'P m c b' _audit_creation_date 'Tuesday, September 08, 2015 05:19p' _audit_creation_method 'MDI Jade 7' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_formula_units_Z 1 _cell_length_a 24.11298 _cell_length_b 16.94684 _cell_length_c 19.73992 _cell_volume 8066.497 _cod_data_source_file c5ce01531f2.cif _cod_data_source_block cif _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic' according to /usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26. Automatic conversion script Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius Adding full bibliography for 7222297.cif. ; _cod_original_cell_volume 8066.5 _cod_original_sg_symbol_H-M Cmca _cod_original_formula_sum 'Co24 N125.16 C250.33 O93.65 H239.03' _cod_database_code 7222297 loop_ _symmetry_equiv_pos_as_xyz ' x, y, z' '-x, -y, -z' ' x, -y, -z' '-x, y, z' ' x, -y+1/2, z+1/2' '-x, y-1/2, -z-1/2' ' x, y+1/2, -z+1/2' '-x, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_B_iso_or_equiv _atom_site_thermal_displace_type Co1 Co 8 1.0 0.25 0.05545 0.25 4.07 Biso Co2 Co 16 1.0 0.12592 0.3076 0.10051 4.07 Biso C11 C 16 1.0 0.19263 0.18502 0.16932 5.74 Biso C12 C 16 1.0 0.10714 0.17416 0.20478 5.74 Biso C13 C 16 1.0 0.13661 0.11147 0.22875 5.74 Biso C14 C 16 1.0 0.24474 0.21976 0.14063 5.74 Biso N15 N 16 1.0 0.14276 0.21979 0.16594 5.74 Biso N16 N 16 1.0 0.19156 0.12219 0.21025 5.74 Biso H12 H 16 1.0 0.06983 0.18443 0.21302 6.88 Biso H13 H 16 1.0 0.12237 0.06929 0.25308 6.88 Biso H14A H 16 1.0 0.24039 0.22731 0.09268 8.6 Biso H14B H 16 1.0 0.25191 0.26936 0.16196 8.6 Biso H14C H 16 1.0 0.27528 0.18487 0.14887 8.6 Biso C21 C 16 1.0 0.18713 -0.07037 0.32095 5.74 Biso C22 C 16 1.0 0.20822 -0.06304 0.42842 5.74 Biso C23 C 16 1.0 0.2367 -0.00556 0.39479 5.74 Biso C24 C 16 1.0 0.1604 -0.09494 0.25561 5.74 Biso N25 N 16 1.0 0.17585 -0.10299 0.38131 5.74 Biso N26 N 16 1.0 0.22012 -0.00764 0.32729 5.74 Biso H22 H 16 1.0 0.21015 -0.07357 0.47463 6.88 Biso H23 H 16 1.0 0.26246 0.0287 0.41365 6.88 Biso H24A H 16 1.0 0.16835 -0.14925 0.24712 8.6 Biso H24B H 16 1.0 0.12097 -0.08767 0.25876 8.6 Biso H24C H 16 1.0 0.17476 -0.06363 0.21915 8.6 Biso C31 C 8 1.0 0.0 0.29368 0.09588 5.74 Biso C32 C 16 1.0 0.0285 0.41024 0.12636 5.74 Biso C34 C 8 1.0 0.0 0.21208 0.06806 5.74 Biso N35 N 16 1.0 0.0461 0.3344 0.11114 5.74 Biso H32 H 16 1.0 0.05126 0.45317 0.13498 6.88 Biso H34A H 16 0.5 0.01951 0.21126 0.02562 8.6 Biso H34B H 16 0.5 0.01804 0.17751 0.09955 8.6 Biso H34C H 16 0.5 -0.03755 0.19506 0.06113 8.6 Biso C41 C 16 1.0 0.10948 0.30187 -0.05354 5.74 Biso C42 C 16 1.0 0.14144 0.19848 -0.00108 5.74 Biso C43 C 16 1.0 0.12925 0.17782 -0.06644 5.74 Biso C44 C 16 1.0 0.09124 0.38428 -0.06776 5.74 Biso N45 N 16 1.0 0.13313 0.27897 0.0046 5.74 Biso N46 N 16 1.0 0.11474 0.24625 -0.10076 5.74 Biso H42 H 16 1.0 0.15312 0.16489 0.03323 6.88 Biso H43 H 16 1.0 0.12955 0.12843 -0.08417 6.88 Biso H44A H 16 1.0 0.10694 0.42031 -0.03563 8.6 Biso H44B H 16 1.0 0.10282 0.39849 -0.11269 8.6 Biso H44C H 16 1.0 0.05149 0.38625 -0.06501 8.6 Biso H46 H 16 0.588 0.1101 0.25159 -0.14375 6.88 Biso C51 C 8 0.822 0.0 0.25936 0.30836 5.74 Biso C52 C 16 0.822 0.0284 0.38084 0.31467 5.74 Biso C54 C 8 0.822 0.0 0.17143 0.30807 5.74 Biso N55 N 16 0.822 0.0455 0.30372 0.30342 5.74 Biso H52 H 16 0.822 0.05131 0.42414 0.32099 6.88 Biso H55 H 16 0.411 0.07869 0.28792 0.29499 6.88 Biso H54A H 16 0.411 0.0329 0.1511 0.3296 8.6 Biso H54C H 8 0.411 0.0 0.15413 0.26176 8.6 Biso O11 O-2 16 0.5 0.0322 -0.013 0.0579 7.96 Biso O16 O-2 16 0.353 0.1061 0.5076 0.4466 7.96 Biso |
7楼2021-05-07 02:38:28
【答案】应助回帖
感谢参与，应助指数 +1
| 用这个吧，用Mercury或者Diamond打开，再查看数据，复制到Origin可以直接得到标准峰值 |
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2楼2019-12-13 18:30:18
jiajia529445
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zhangying0
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4楼2020-01-16 11:25:07
