 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 371 | 回復(fù): 4 | |||
| 當(dāng)前只顯示滿足指定條件的回帖，點擊這里查看本話題的所有回帖 | |||
tomwangchy金蟲 (小有名氣)
|
[求助]
求JCPDS 04-013-5289標(biāo)準(zhǔn)卡片 已有1人參與
|
||
| 如題，求助JCPDS 04-013-5289標(biāo)準(zhǔn)卡片，謝謝！ |
回復(fù)此樓» 猜你喜歡
中南大學(xué)易小藝課題組誠招2026申請-考核制博士生
已經(jīng)有0人回復(fù)
-
海南師范大學(xué)招收化學(xué)博士（光電功能材料課題組招收博士研究生）
已經(jīng)有11人回復(fù)
-
無機(jī)化學(xué)論文潤色/翻譯怎么收費?
已經(jīng)有87人回復(fù)
-
求助幾個團(tuán)簇的cif
已經(jīng)有0人回復(fù)
-
急求該反應(yīng)的詳細(xì)機(jī)理
已經(jīng)有5人回復(fù)
-
【Ei | Scopus 雙檢索】2026年智能交通與未來出行國際會議（CSTFM 2026）
已經(jīng)有0人回復(fù)
-
【EI|Scopus 雙檢索】2026年第六屆機(jī)器人與人工智能國際會議（JCRAI 2026）
已經(jīng)有0人回復(fù)
-
zotero的advanced material模板沒有更新，有人有新版的cls文件嗎
已經(jīng)有2人回復(fù)
-
【高校聯(lián)合舉辦】2026年第五屆服務(wù)機(jī)器人國際會議（ICoSR 2026）
已經(jīng)有0人回復(fù)
-
深圳大學(xué)化學(xué)與環(huán)境工程學(xué)院超分子團(tuán)隊招收2026級申請-考核制博士生
已經(jīng)有8人回復(fù)
rlafite
木蟲 (正式寫手)
- 應(yīng)助: 189 (高中生)
- 金幣: 9870.1
- 紅花: 28
- 沙發(fā): 1
- 帖子: 886
- 在線: 339.2小時
- 蟲號: 4563202
- 注冊: 2016-04-02
- 性別: GG
- 專業(yè): 同步輻射技術(shù)及其應(yīng)用
【答案】應(yīng)助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
tomwangchy: 金幣+20, ★★★★★最佳答案 2026-02-13 08:37:59
tomwangchy: 金幣+20, ★★★★★最佳答案 2026-02-13 08:37:59
|
#====================================================================== # CRYSTAL DATA #---------------------------------------------------------------------- data_VESTA_phase_1 _chemical_name_common 'Fe0.75 Li Mn0.25 O4 P' _cell_length_a 10.37890(10) _cell_length_b 6.03940(10) _cell_length_c 4.72110(10) _cell_angle_alpha 90.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 90.000000 _cell_volume 295.929525 _space_group_name_H-M_alt 'P n m a' _space_group_IT_number 62 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' '-x+1/2t, -y, z+1/2t' 'x+1/2t, y, -z+1/2t' '-x, y+1/2t, -z' 'x, -y+1/2t, z' 'x+1/2t, -y+1/2t, -z+1/2t' '-x+1/2t, y+1/2t, z+1/2t' loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_type_symbol Li1 0.9960 0.000000 0.000000 0.000000 Uiso ? Li Fe1 0.7470 0.28314(11) 0.250000 0.9735(4) Uiso ? Fe Li2 0.0040 0.28314(11) 0.250000 0.9735(4) Uiso ? Li P1 1.0 0.0968(4) 0.250000 0.4151(5) Uiso ? P O1 1.0 0.0947(7) 0.250000 0.7343(10) Uiso ? O O2 1.0 0.4551(7) 0.250000 0.2079(9) Uiso ? O O3 1.0 0.1660(5) 0.0496(8) 0.2829(7) Uiso ? O Fe2 0.0030 0.000000 0.000000 0.000000 Uiso ? Fe Mn2 0.0010 0.000000 0.000000 0.000000 Uiso ? Mn Mn1 0.2490 0.28314(11) 0.250000 0.9735(4) Uiso ? Mn |
3樓2026-02-11 23:19:37
rlafite
木蟲 (正式寫手)
- 應(yīng)助: 189 (高中生)
- 金幣: 9870.1
- 紅花: 28
- 沙發(fā): 1
- 帖子: 886
- 在線: 339.2小時
- 蟲號: 4563202
- 注冊: 2016-04-02
- 性別: GG
- 專業(yè): 同步輻射技術(shù)及其應(yīng)用
【答案】應(yīng)助回帖
感謝參與，應(yīng)助指數(shù) +1
|
#------------------------------------------------------------------------------ #$Date: 2023-12-04 15:51:04 +0200 (Mon, 04 Dec 2023) $ #$Revision: 287987 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/30/03/2300353.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2300353 loop_ _publ_author_name 'Jensen, Kirsten' 'Christensen, Mogens' 'Tyrsted, Christoffer' 'Brummerstedt Iversen, Bo' _publ_section_title ; Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles ; _journal_coeditor_code KO5132 _journal_issue 2 _journal_name_full 'Journal of Applied Crystallography' _journal_page_first 287 _journal_page_last 294 _journal_paper_doi 10.1107/S0021889811006522 _journal_volume 44 _journal_year 2011 _chemical_formula_sum 'Fe0.75 Li Mn0.25 O4 P' _space_group_IT_number 62 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_formula_units_Z 4 _cell_length_a 10.3789(1) _cell_length_b 6.0394(1) _cell_length_c 4.7211(1) _cell_measurement_pressure 2.5E4 _cell_measurement_temperature 618 _cell_volume 295.931(8) _computing_structure_refinement FULLPROF _diffrn_ambient_pressure 2.5E4 _diffrn_ambient_temperature 618 _diffrn_radiation_wavelength 0.94449 _pd_block_diffractogram_id LiFe075Mn025PO4345 _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.037384 _pd_meas_2theta_range_max 43.97871 _pd_meas_2theta_range_min 3.64155 _pd_meas_number_of_points 1081 _pd_proc_2theta_range_inc 0.037384 _pd_proc_2theta_range_max 43.9649 _pd_proc_2theta_range_min 3.6277 _pd_proc_ls_pref_orient_corr ' ?' _pd_proc_ls_prof_R_factor 0.3115 _pd_proc_ls_prof_wR_expected 0.0044 _pd_proc_ls_prof_wR_factor 0.3726 _pd_proc_wavelength 0.944490 _pd_spec_mounting ' ?' _refine_ls_number_parameters 44 _refine_ls_number_reflns 158 _refine_ls_number_restraints 0 _cod_data_source_file ko5132.cif _cod_data_source_block LiFe075Mn025PO4345 _cod_depositor_comments ; Luca Lutterotti, 10/5/2013 Problem with occupancy exceeding 1. Occupancy corrected using following rules: - Fe/Mn and Li relatives occupancies as refined by authors - Fe/Mn ratio fixed to nominal composition: 0.75/0.25, 0.5/0.5, 0.25/0.75 - O and P occupancies = 1 Everything turn out correct this way. #---------------------------------------------------------------------- The original ko5132.cif from the IUCr web-site was updated according to the message received from the authors: From: Bo Brummerstedt Iversen <bo@xxxxxxxxxxxxxxxxx> To: Saulius Gra\<ulis <grazulis@xxxxxxxxxxxxxxx> Subject: Re: Supplementary data for your paper ko5132.cif Date: Thu, 12 May 2011 10:27:02 +0200 (11:27 EEST) Dear Saulius, Thanks for your mail 1) /.../ The compositions are LiFePO4, LiFe0.75Mn0.25PO4, LiFe0.50Mn0.50PO4, and LiFe0.25Mn0.50PO4 The occupancy of the Fe in the second block should therefore be changed to 0.7465(17), while that of manganese should be 0.25096. We are sorry about this confusion. 2) Yes, the bruttoformula should be the data header, and the Z value 4 3) Yes, the data were measured at 345 degrees celcius. 4) Yes, the pressure during the measurement was 250 bar. /.../ Best regards, Bo Saulius Gra\<zulis 2011.05.17 #---------------------------------------------------------------------- The following automatic conversions were performed: '_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius ; _cod_original_cell_volume 295.931(7) _cod_original_formula_sum 'Li Fe0.75 Mn0.25 P O4' _cod_database_code 2300353 loop_ _symmetry_equiv_pos_as_xyz x,y,z x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x+1/2,-y,z+1/2 -x,-y,-z -x+1/2,y+1/2,z+1/2 x,-y+1/2,z x+1/2,y,-z+1/2 loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy Li Li1 0.00000 0.00000 0.00000 0.00000 Uiso 0.996(4) Fe Fe1 0.28314(11) 0.25000 0.9735(4) 0.00000 Uiso 0.747 Li Li2 0.28314(11) 0.25000 0.9735(4) 0.00000 Uiso 0.004 P P1 0.0968(3) 0.25000 0.4151(5) 0.00000 Uiso 1.0 O O1 0.0947(6) 0.25000 0.7343(10) 0.00000 Uiso 1.0 O O2 0.4551(7) 0.25000 0.2079(9) 0.00000 Uiso 1.0 O O3 0.1660(5) 0.0496(8) 0.2829(6) 0.00000 Uiso 1.0 Fe Fe2 0.00000 0.00000 0.00000 0.00000 Uiso 0.003 Mn Mn2 0.00000 0.00000 0.00000 0.00000 Uiso 0.001 Mn Mn1 0.28314(11) 0.25000 0.9735(4) 0.00000 Uiso 0.249 loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Li 0.00032 0.00013 ;International Tables for Crystallography Vol. C (1991) Tables 6.1.1.4 and_6.1.1.5 ; Fe 0.28930 1.55416 ;International Tables for Crystallography Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5 ; P 0.17633 0.19009 ;International Tables for Crystallography Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5 ; O 0.02351 0.01325 ;International Tables for Crystallography Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5 ; Mn 0.29500 0.72900 ;International Tables for Crystallography Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5 ; loop_ _cod_changelog_entry_id _cod_changelog_entry_author _cod_changelog_entry_date _cod_changelog_entry_text 1 'Vaitkus, Antanas' 2023-12-04T15:50:00+02:00 ; Changed an atom site label from '0.0000' to 'P1' for consistency and readability. ; |
2樓2026-02-11 23:16:45
tomwangchy
金蟲 (小有名氣)
- 應(yīng)助: 0 (幼兒園)
- 金幣: 647.2
- 散金: 10
- 帖子: 292
- 在線: 53.7小時
- 蟲號: 471279
- 注冊: 2007-11-30
- 性別: GG
- 專業(yè): 有色金屬冶金
4樓2026-02-12 11:43:05
rlafite
木蟲 (正式寫手)
- 應(yīng)助: 189 (高中生)
- 金幣: 9870.1
- 紅花: 28
- 沙發(fā): 1
- 帖子: 886
- 在線: 339.2小時
- 蟲號: 4563202
- 注冊: 2016-04-02
- 性別: GG
- 專業(yè): 同步輻射技術(shù)及其應(yīng)用
5樓2026-02-13 00:02:33
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 304分材料專碩求調(diào)劑 +3 | qiuzhigril 2026-03-03 | 5/250 |
|
|---|---|---|---|---|
|
|
[考研] 293求調(diào)劑 +4 | 是樂渝哇 2026-03-03 | 4/200 |
|
|
[考研] 環(huán)境工程學(xué)碩288求助調(diào)劑 +7 | 多吃億口芝士 2026-03-02 | 7/350 |
|
|
|
[考研] 學(xué)碩材料275調(diào)劑 +4 | 路三三 2026-03-03 | 4/200 |
|
|
|
[考研] 0856材料工程，初試313調(diào)劑 +7 | 賣個關(guān)子吧 2026-03-03 | 7/350 |
|
|
|
[考研] 0703化學(xué)306調(diào)劑 +4 | 26要上岸 2026-03-03 | 4/200 |
|
|
|
[考研] 298求調(diào)劑 +3 | 人間唯你是清歡 2026-03-03 | 4/200 |
|
|
|
[碩博家園] 2025屆雙非化工碩士畢業(yè)，申博 +4 | 更多的是 2026-02-27 | 5/250 |
|
|
|
[考研] 求調(diào)劑 +4 | Guo_yuxuan 2026-03-02 | 5/250 |
|
|
|
[考研] 材料學(xué)碩318求調(diào)劑 +11 | February_Feb 2026-03-01 | 11/550 |
|
|
|
[考研] 化工270求調(diào)劑 +10 | 什么名字qwq 2026-03-02 | 10/500 |
|
|
|
[考研] 278求調(diào)劑 +3 | 滿天星11_22 2026-03-02 | 3/150 |
|
|
|
[考研] 284求調(diào)劑 +6 | 天下熯 2026-03-02 | 6/300 |
|
|
|
[考研] 0854復(fù)試調(diào)劑 276 +5 | wmm9 2026-03-01 | 7/350 |
|
|
|
[考研] 321求調(diào)劑一志愿東北林業(yè)大學(xué)材料與化工英二數(shù)二 +5 | 蟲蟲蟲蟲蟲7 2026-03-01 | 9/450 |
|
|
|
[考研] 材料復(fù)試調(diào)劑 +5 | 學(xué)材料的點 2026-03-01 | 6/300 |
|
|
|
[考研] 哈工大計算機(jī)劉劼團(tuán)隊招生 +4 | hit_aiot 2026-03-01 | 6/300 |
|
|
|
[考研] 一志愿鄭大材料學(xué)碩298分，求調(diào)劑 +6 | wsl111 2026-03-01 | 6/300 |
|
|
|
[考研] 化工專碩342，一志愿大連理工大學(xué)，求調(diào)劑 +6 | kyf化工 2026-02-28 | 7/350 |
|
|
|
[考研] 272求調(diào)劑 +6 | 田智友 2026-02-28 | 6/300 |
|