當(dāng)前只顯示滿(mǎn)足指定條件的回帖，點(diǎn)擊這里查看本話(huà)題的所有回帖

13ylpeng

銀蟲(chóng) (小有名氣)

應(yīng)助: 1 (幼兒園)
金幣: 512.1
帖子: 90
在線(xiàn): 120.8小時(shí)
蟲(chóng)號(hào): 2804255
注冊(cè): 2013-11-15
專(zhuān)業(yè): 配位化學(xué)

[求助] uio-67的cif 已有1人參與

注意要求的是uio-67的cif 不是UIO-66的cif...

回復(fù)此樓

» 猜你喜歡

中南大學(xué)化學(xué)化工學(xué)院易小藝教授課題組招收2026級(jí)博士研究生（第二輪）已經(jīng)有0人回復(fù)
求助已經(jīng)有1人回復(fù)
無(wú)機(jī)化學(xué)論文潤(rùn)色/翻譯怎么收費(fèi)? 已經(jīng)有277人回復(fù)
0703化學(xué)26考研調(diào)劑，一志愿南昌大學(xué) 已經(jīng)有2人回復(fù)
有沒(méi)有化學(xué)、材料專(zhuān)業(yè)的同學(xué)需要調(diào)劑考慮天津高效的可以郵件或者私信已經(jīng)有1人回復(fù)
26年博士招生已經(jīng)有16人回復(fù)
江西理工大學(xué)功能晶態(tài)材料方向劉遂軍課題組招收2026年秋季入學(xué)博士研究生已經(jīng)有11人回復(fù)
寧夏大學(xué)團(tuán)簇新材料團(tuán)隊(duì)招收材料/化學(xué)/化工專(zhuān)業(yè)博士生已經(jīng)有0人回復(fù)
MIL-101有單晶樣品嗎已經(jīng)有1人回復(fù)
已刪除已經(jīng)有3人回復(fù)
收調(diào)劑研究生已經(jīng)有2人回復(fù)

» 本主題相關(guān)價(jià)值貼推薦，對(duì)您同樣有幫助:

求Li2TiO3和TiO2的CIF文件已經(jīng)有4人回復(fù)
ZIF-67的.cif文件已經(jīng)有13人回復(fù)
求助ZIF-67的cif文件，謝謝。已經(jīng)有4人回復(fù)

科技改變世界

1樓 2015-05-12 22:30:50

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

殤歌殘曲

新蟲(chóng) (初入文壇)

應(yīng)助: 0 (幼兒園)
金幣: 21.5
帖子: 26
在線(xiàn): 8.8小時(shí)
蟲(chóng)號(hào): 15841079
注冊(cè): 2019-08-05
性別: GG
專(zhuān)業(yè): 有機(jī)高分子功能材料

引用回帖:

2樓: Originally posted by cluster8676 at 2015-05-12 14:40:19
模擬的結(jié)構(gòu)。

data_1
_audit_creation_date             2013-04-23
_audit_creation_method          'Materials Studio'
_symmetry_space_group_name_H-M 'FM-3M'
_symmetry_Int_Tables_number    ...

大哥，有UIO-67的CIF嗎，有的話(huà)麻煩你發(fā)一下。

贊一下

回復(fù)此樓

只有努力才可以追求更好的

4樓2021-04-26 17:38:10

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

查看全部 4 個(gè)回答

cluster8676

至尊木蟲(chóng) (著名寫(xiě)手)

CMEI: 9
應(yīng)助: 513 (博士)
貴賓: 0.107
金幣: 11370
散金: 1923
紅花: 115
帖子: 2505
在線(xiàn): 1133.8小時(shí)
蟲(chóng)號(hào): 693285
注冊(cè): 2009-01-16
性別: GG
專(zhuān)業(yè): 無(wú)機(jī)材料化學(xué)

【答案】應(yīng)助回帖

感謝參與，應(yīng)助指數(shù) +1

模擬的結(jié)構(gòu)。

data_1
_audit_creation_date             2013-04-23
_audit_creation_method          'Materials Studio'
_symmetry_space_group_name_H-M 'FM-3M'
_symmetry_Int_Tables_number    225
_symmetry_cell_setting          cubic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,-y,z
  -x,y,-z
  x,-y,-z
  z,x,y
  z,-x,-y
  -z,-x,y
  -z,x,-y
  y,z,x
  -y,z,-x
  y,-z,-x
  -y,-z,x
  y,x,-z
  -y,-x,-z
  y,-x,z
  -y,x,z
  x,z,-y
  -x,z,y
  -x,-z,-y
  x,-z,y
  z,y,-x
  z,-y,x
  -z,y,x
  -z,-y,-x
  -x,-y,-z
  x,y,-z
  x,-y,z
  -x,y,z
  -z,-x,-y
  -z,x,y
  z,x,-y
  z,-x,y
  -y,-z,-x
  y,-z,x
  -y,z,x
  y,z,-x
  -y,-x,z
  y,x,z
  -y,x,-z
  y,-x,-z
  -x,-z,y
  x,-z,-y
  x,z,y
  -x,z,-y
  -z,-y,x
  -z,y,-x
  z,-y,-x
  z,y,x
  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
  z,x+1/2,y+1/2
  z,-x+1/2,-y+1/2
  -z,-x+1/2,y+1/2
  -z,x+1/2,-y+1/2
  y,z+1/2,x+1/2
  -y,z+1/2,-x+1/2
  y,-z+1/2,-x+1/2
  -y,-z+1/2,x+1/2
  y,x+1/2,-z+1/2
  -y,-x+1/2,-z+1/2
  y,-x+1/2,z+1/2
  -y,x+1/2,z+1/2
  x,z+1/2,-y+1/2
  -x,z+1/2,y+1/2
  -x,-z+1/2,-y+1/2
  x,-z+1/2,y+1/2
  z,y+1/2,-x+1/2
  z,-y+1/2,x+1/2
  -z,y+1/2,x+1/2
  -z,-y+1/2,-x+1/2
  -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
  -z,-x+1/2,-y+1/2
  -z,x+1/2,y+1/2
  z,x+1/2,-y+1/2
  z,-x+1/2,y+1/2
  -y,-z+1/2,-x+1/2
  y,-z+1/2,x+1/2
  -y,z+1/2,x+1/2
  y,z+1/2,-x+1/2
  -y,-x+1/2,z+1/2
  y,x+1/2,z+1/2
  -y,x+1/2,-z+1/2
  y,-x+1/2,-z+1/2
  -x,-z+1/2,y+1/2
  x,-z+1/2,-y+1/2
  x,z+1/2,y+1/2
  -x,z+1/2,-y+1/2
  -z,-y+1/2,x+1/2
  -z,y+1/2,-x+1/2
  z,-y+1/2,-x+1/2
  z,y+1/2,x+1/2
  x+1/2,y,z+1/2
  -x+1/2,-y,z+1/2
  -x+1/2,y,-z+1/2
  x+1/2,-y,-z+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,x,-y+1/2
  y+1/2,z,x+1/2
  -y+1/2,z,-x+1/2
  y+1/2,-z,-x+1/2
  -y+1/2,-z,x+1/2
  y+1/2,x,-z+1/2
  -y+1/2,-x,-z+1/2
  y+1/2,-x,z+1/2
  -y+1/2,x,z+1/2
  x+1/2,z,-y+1/2
  -x+1/2,z,y+1/2
  -x+1/2,-z,-y+1/2
  x+1/2,-z,y+1/2
  z+1/2,y,-x+1/2
  z+1/2,-y,x+1/2
  -z+1/2,y,x+1/2
  -z+1/2,-y,-x+1/2
  -x+1/2,-y,-z+1/2
  x+1/2,y,-z+1/2
  x+1/2,-y,z+1/2
  -x+1/2,y,z+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,-x,y+1/2
  -y+1/2,-z,-x+1/2
  y+1/2,-z,x+1/2
  -y+1/2,z,x+1/2
  y+1/2,z,-x+1/2
  -y+1/2,-x,z+1/2
  y+1/2,x,z+1/2
  -y+1/2,x,-z+1/2
  y+1/2,-x,-z+1/2
  -x+1/2,-z,y+1/2
  x+1/2,-z,-y+1/2
  x+1/2,z,y+1/2
  -x+1/2,z,-y+1/2
  -z+1/2,-y,x+1/2
  -z+1/2,y,-x+1/2
  z+1/2,-y,-x+1/2
  z+1/2,y,x+1/2
  x+1/2,y+1/2,z
  -x+1/2,-y+1/2,z
  -x+1/2,y+1/2,-z
  x+1/2,-y+1/2,-z
  z+1/2,x+1/2,y
  z+1/2,-x+1/2,-y
  -z+1/2,-x+1/2,y
  -z+1/2,x+1/2,-y
  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,x
  y+1/2,x+1/2,-z
  -y+1/2,-x+1/2,-z
  y+1/2,-x+1/2,z
  -y+1/2,x+1/2,z
  x+1/2,z+1/2,-y
  -x+1/2,z+1/2,y
  -x+1/2,-z+1/2,-y
  x+1/2,-z+1/2,y
  z+1/2,y+1/2,-x
  z+1/2,-y+1/2,x
  -z+1/2,y+1/2,x
  -z+1/2,-y+1/2,-x
  -x+1/2,-y+1/2,-z
  x+1/2,y+1/2,-z
  x+1/2,-y+1/2,z
  -x+1/2,y+1/2,z
  -z+1/2,-x+1/2,-y
  -z+1/2,x+1/2,y
  z+1/2,x+1/2,-y
  z+1/2,-x+1/2,y
  -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,-x
  -y+1/2,-x+1/2,z
  y+1/2,x+1/2,z
  -y+1/2,x+1/2,-z
  y+1/2,-x+1/2,-z
  -x+1/2,-z+1/2,y
  x+1/2,-z+1/2,-y
  x+1/2,z+1/2,y
  -x+1/2,z+1/2,-y
  -z+1/2,-y+1/2,x
  -z+1/2,y+1/2,-x
  z+1/2,-y+1/2,-x
  z+1/2,y+1/2,x
_cell_length_a                   26.3943
_cell_length_b                   26.3943
_cell_length_c                   26.3943
_cell_angle_alpha                90.0000
_cell_angle_beta                90.0000
_cell_angle_gamma                90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_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
ZR1 Zr 0.08851 0.00000 0.00000 0.02282  Uani 1.00
O2    O    0.04620  -0.04620 0.04620  -0.00836  Uani 1.00
O1    O    0.12990 0.06820 0.00000 0.04899  Uani 1.00
C3    C    0.20594 0.14119 0.00000 0.41126  Uani 1.00
C4    C    0.24337 0.17862 0.00000 0.27887  Uani 1.00
C1    C    0.11502 0.11502 0.00000 0.10785  Uani 1.00
C2    C    0.15454 0.15454 0.00000 0.11217  Uani 1.00
C5    C    0.23014 0.23014 0.00000 0.22139  Uani 1.00
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
ZR1    0.01908 0.02468 0.02468 0.00000 0.00000 0.00000
O2    -0.00836  -0.00836  -0.00836 0.00285  -0.00285 0.00285
O1       0.03657 0.05258 0.05782  -0.01316 0.00000 0.00000
C3       0.80735 0.13705 0.28937 0.19552 0.00000 0.00000
C4       0.30512 0.26571 0.26577  -0.08949 0.00000 0.00000
C1       0.12855 0.12855 0.06645 0.09471 0.00000 0.00000
C2       0.08510 0.08510 0.16630 0.00800 0.00000 0.00000
C5       0.22111 0.22111 0.22194 0.11222 0.00000 0.00000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
ZR1 O2    2.055 .    S
ZR1 O2    2.055 4    S
ZR1 O2    2.055 16 S
ZR1 O2    2.055 14 S
ZR1 O1    2.106 .    S
ZR1 O1    2.106 4    S
ZR1 O1    2.106 17 S
ZR1 O1    2.106 20 S
O2    ZR1    2.055 6    S
O2    ZR1    2.055 9    S
O1    C1    1.297 .    A
C3    C4    1.397 .    A
C3    C2    1.402 .    A
C4    C5    1.404 .    A
C1    O1    1.297 13 A
C1    C2    1.475 .    S
C2    C3    1.402 13 A
C5    C4    1.404 13 A
C5    C5    1.482 146 S

贊一下

回復(fù)此樓

學(xué)無(wú)止境

2樓2015-05-13 03:40:19

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

liuasia

銅蟲(chóng) (小有名氣)

應(yīng)助: 0 (幼兒園)
金幣: 102.6
散金: 200
帖子: 69
在線(xiàn): 122.6小時(shí)
蟲(chóng)號(hào): 3001880
注冊(cè): 2014-02-27
性別: GG
專(zhuān)業(yè): 藝術(shù)美學(xué)

樓主有Uio-66的cif嗎，給我發(fā)一份，s20140691@xs.ustb.edu.cn
非常感謝

贊一下

回復(fù)此樓

互相幫組

3樓2015-06-01 10:54:17

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

最具人氣熱帖推薦 [查看全部]	作者	回/看	最后發(fā)表

[考研] 一志愿山東大學(xué)藥學(xué)學(xué)碩求調(diào)劑 +3	開(kāi)開(kāi)心心沒(méi)煩惱 2026-03-23	4/200	2026-03-24 00:06 by 開(kāi)開(kāi)心心沒(méi)煩惱
[考研] 284求調(diào)劑 +3	yanzhixue111 2026-03-23	6/300	2026-03-23 22:58 by pswait
[考研] 生物學(xué)學(xué)碩求調(diào)劑 +4	小羊睡著了? 2026-03-23	4/200	2026-03-23 21:42 by hyzs6688
[考研] 303求調(diào)劑 +5	安憶靈 2026-03-22	6/300	2026-03-22 12:46 by 素顏傾城1988
[考研] 285求調(diào)劑 +6	ytter 2026-03-22	6/300	2026-03-22 12:09 by 星空星月
[考研] 一志愿華中科技大學(xué)071000，求調(diào)劑 +4	沿岸有貝殼6 2026-03-21	4/200	2026-03-22 07:21 by ilovexiaobin
[考研] 286分人工智能專(zhuān)業(yè)請(qǐng)求調(diào)劑愿意跨考！ +4	lemonzzn 2026-03-17	8/400	2026-03-21 22:49 by lemonzzn
[考研] 求調(diào)劑 +3	.m.. 2026-03-21	4/200	2026-03-21 16:25 by barlinike
[考研] 265求調(diào)劑 +12	梁梁校校 2026-03-19	14/700	2026-03-21 13:38 by lature00
[考研] 301求調(diào)劑 +10	yy要上岸呀 2026-03-17	10/500	2026-03-21 03:14 by JourneyLucky
[考研] 材料工程（專(zhuān)）一志愿985 初試335求調(diào)劑 +3	hiloiy 2026-03-17	4/200	2026-03-21 03:04 by JourneyLucky
[考研] 初始318分求調(diào)劑（有工作經(jīng)驗(yàn)） +3	1911236844 2026-03-17	3/150	2026-03-21 02:33 by JourneyLucky
[考研] 一志愿武理材料305分求調(diào)劑 +6	想上岸的鯉魚(yú) 2026-03-18	7/350	2026-03-21 01:03 by JourneyLucky
[考研] 一志愿重慶大學(xué)085700資源與環(huán)境專(zhuān)碩，總分308求調(diào)劑 +3	墨墨漠 2026-03-18	3/150	2026-03-21 00:39 by JourneyLucky
[考研] 一志愿中海洋材料工程專(zhuān)碩330分求調(diào)劑 +8	小材化本科 2026-03-18	8/400	2026-03-20 23:16 by JourneyLucky
[考研] 一志愿西北大學(xué) ，070300化學(xué)學(xué)碩，總分287，雙非一本，求調(diào)劑。 +4	晨昏線(xiàn)與星海 2026-03-19	4/200	2026-03-20 22:15 by JourneyLucky
[考研] 材料與化工 322求調(diào)劑 +4	然11 2026-03-19	4/200	2026-03-20 22:12 by luoyongfeng
[考研] 求調(diào)劑一志愿南京航空航天大學(xué)289分 +3	@taotao 2026-03-19	3/150	2026-03-20 21:34 by JourneyLucky
[考研] 085600材料與化工調(diào)劑 324分 +10	llllkkkhh 2026-03-18	12/600	2026-03-19 14:33 by llllkkkhh
[考研] 材料考研調(diào)劑 +3	xwt。 2026-03-19	3/150	2026-03-19 11:22 by w沐陽(yáng)w