版塊導(dǎo)航: 正在加載中...

應(yīng)《網(wǎng)絡(luò)安全法》要求，自2017年10月1日起，未進(jìn)行實(shí)名認(rèn)證將不得使用互聯(lián)網(wǎng)跟帖服務(wù)。為保障您的帳號(hào)能夠正常使用，請(qǐng)盡快對(duì)帳號(hào)進(jìn)行手機(jī)號(hào)驗(yàn)證，感謝您的理解與支持！

24小時(shí)熱門版塊排行榜

返回列表

houyanhui8

銅蟲 (小有名氣)

應(yīng)助: 1 (幼兒園)
金幣: 24
帖子: 157
在線: 97.3小時(shí)
蟲號(hào): 844543
注冊(cè): 2009-09-10
專業(yè): 應(yīng)用有機(jī)化學(xué)

[求助] 求MgAl2O4晶體結(jié)構(gòu)，參數(shù)，空間群及原子坐標(biāo) 已有2人參與

如題：求MgAl2O4晶體結(jié)構(gòu)，參數(shù)，空間群及原子坐標(biāo)。

回復(fù)此樓

» 猜你喜歡

南昌大學(xué)材料專碩311分求調(diào)劑已經(jīng)有6人回復(fù)
316求調(diào)劑已經(jīng)有6人回復(fù)
346求調(diào)劑[0856] 已經(jīng)有7人回復(fù)
一志愿山大07化學(xué) 332分四六級(jí)已過(guò) 本科山東雙非求調(diào)劑！已經(jīng)有3人回復(fù)
310求調(diào)劑已經(jīng)有3人回復(fù)
機(jī)械專碩299求調(diào)劑至材料已經(jīng)有4人回復(fù)
070300化學(xué)319求調(diào)劑已經(jīng)有7人回復(fù)
08工科 320總分求調(diào)劑已經(jīng)有6人回復(fù)
一志愿天津大學(xué)化學(xué)工藝專業(yè)（081702）315分求調(diào)劑已經(jīng)有12人回復(fù)
307求調(diào)劑已經(jīng)有3人回復(fù)

1樓 2014-12-01 13:09:18

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

Vaucanson

金蟲 (小有名氣)

應(yīng)助: 16 (小學(xué)生)
金幣: 812.7
紅花: 2
帖子: 283
在線: 86.6小時(shí)
蟲號(hào): 2852894
注冊(cè): 2013-12-06
性別: GG
專業(yè): 金屬結(jié)構(gòu)材料

【答案】應(yīng)助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感謝參與，應(yīng)助指數(shù) +1
houyanhui8: 金幣+15, ★★★★★最佳答案, 謝謝呀，需要跟侯老師平分金幣呢，呵呵。多謝！ 2014-12-03 01:02:53

#### CIF created by Crystallographica 2 ####

data_MagnesiumAluminiumOxide

_audit_creation_method                   'Crystallographica 2'
_cell_angle_alpha                      90
_cell_angle_beta                         90
_cell_angle_gamma                      90
_cell_formula_units_Z                   8
_cell_length_a                         8.0858
_cell_length_b                         8.0858
_cell_length_c                         8.0858
_cell_volume                            528.651
_cgraph_comments                      'A peculiar site preference of boron in Mg Al(2-x) B(x) O4    (x = 0.0. 0.11. and 0.13) spinel under high-pressure and    high-temperature'
_cgraph_title                         'Magnesium Aluminium Oxide (1/2/4)'
_chemical_formula_sum                   '(Mg0.86 Al0.14) (Al1.86 Mg0.14) O4'
_symmetry_space_group_name_H-M          'F d -3 m'
_symmetry_space_group_name_Hall       ' F 4d 2 3 -1d'

loop_
      _symmetry_equiv_pos_as_xyz
      'x, y, z'
      'x, y+1/2, z+1/2'
      'x+1/2, y, z+1/2'
      'x+1/2, y+1/2, z'
      '-x+1/4, -y+1/4, -z+1/4'
      '-x+1/4, -y-1/4, -z-1/4'
      '-x-1/4, -y+1/4, -z-1/4'
      '-x-1/4, -y-1/4, -z+1/4'
      '-y+1/4, x+1/4, z+1/4'
      '-y+1/4, x-1/4, z-1/4'
      '-y-1/4, x+1/4, z-1/4'
      '-y-1/4, x-1/4, z+1/4'
      '-x, -y, z'
      '-x, -y+1/2, z+1/2'
      '-x+1/2, -y, z+1/2'
      '-x+1/2, -y+1/2, z'
      'y+1/4, -x+1/4, z+1/4'
      'y+1/4, -x-1/4, z-1/4'
      'y-1/4, -x+1/4, z-1/4'
      'y-1/4, -x-1/4, z+1/4'
      'x+1/4, -z+1/4, y+1/4'
      'x+1/4, -z-1/4, y-1/4'
      'x-1/4, -z+1/4, y-1/4'
      'x-1/4, -z-1/4, y+1/4'
      'x, -y, -z'
      'x, -y+1/2, -z+1/2'
      'x+1/2, -y, -z+1/2'
      'x+1/2, -y+1/2, -z'
      'x+1/4, z+1/4, -y+1/4'
      'x+1/4, z-1/4, -y-1/4'
      'x-1/4, z+1/4, -y-1/4'
      'x-1/4, z-1/4, -y+1/4'
      'z+1/4, y+1/4, -x+1/4'
      'z+1/4, y-1/4, -x-1/4'
      'z-1/4, y+1/4, -x-1/4'
      'z-1/4, y-1/4, -x+1/4'
      '-x, y, -z'
      '-x, y+1/2, -z+1/2'
      '-x+1/2, y, -z+1/2'
      '-x+1/2, y+1/2, -z'
      '-z+1/4, y+1/4, x+1/4'
      '-z+1/4, y-1/4, x-1/4'
      '-z-1/4, y+1/4, x-1/4'
      '-z-1/4, y-1/4, x+1/4'
      'y, -x, -z'
      'y, -x+1/2, -z+1/2'
      'y+1/2, -x, -z+1/2'
      'y+1/2, -x+1/2, -z'
      '-y, x, -z'
      '-y, x+1/2, -z+1/2'
      '-y+1/2, x, -z+1/2'
      '-y+1/2, x+1/2, -z'
      '-x, z, -y'
      '-x, z+1/2, -y+1/2'
      '-x+1/2, z, -y+1/2'
      '-x+1/2, z+1/2, -y'
      '-x, -z, y'
      '-x, -z+1/2, y+1/2'
      '-x+1/2, -z, y+1/2'
      '-x+1/2, -z+1/2, y'
      '-z, -y, x'
      '-z, -y+1/2, x+1/2'
      '-z+1/2, -y, x+1/2'
      '-z+1/2, -y+1/2, x'
      'z, -y, -x'
      'z, -y+1/2, -x+1/2'
      'z+1/2, -y, -x+1/2'
      'z+1/2, -y+1/2, -x'
      'z, x, y'
      'z, x+1/2, y+1/2'
      'z+1/2, x, y+1/2'
      'z+1/2, x+1/2, y'
      'y, z, x'
      'y, z+1/2, x+1/2'
      'y+1/2, z, x+1/2'
      'y+1/2, z+1/2, x'
      '-y, -z, x'
      '-y, -z+1/2, x+1/2'
      '-y+1/2, -z, x+1/2'
      '-y+1/2, -z+1/2, x'
      'z, -x, -y'
      'z, -x+1/2, -y+1/2'
      'z+1/2, -x, -y+1/2'
      'z+1/2, -x+1/2, -y'
      '-y, z, -x'
      '-y, z+1/2, -x+1/2'
      '-y+1/2, z, -x+1/2'
      '-y+1/2, z+1/2, -x'
      '-z, -x, y'
      '-z, -x+1/2, y+1/2'
      '-z+1/2, -x, y+1/2'
      '-z+1/2, -x+1/2, y'
      '-z, x, -y'
      '-z, x+1/2, -y+1/2'
      '-z+1/2, x, -y+1/2'
      '-z+1/2, x+1/2, -y'
      'y, -z, -x'
      'y, -z+1/2, -x+1/2'
      'y+1/2, -z, -x+1/2'
      'y+1/2, -z+1/2, -x'
      '-z+1/4, -x+1/4, -y+1/4'
      '-z+1/4, -x-1/4, -y-1/4'
      '-z-1/4, -x+1/4, -y-1/4'
      '-z-1/4, -x-1/4, -y+1/4'
      '-y+1/4, -z+1/4, -x+1/4'
      '-y+1/4, -z-1/4, -x-1/4'
      '-y-1/4, -z+1/4, -x-1/4'
      '-y-1/4, -z-1/4, -x+1/4'
      'y+1/4, z+1/4, -x+1/4'
      'y+1/4, z-1/4, -x-1/4'
      'y-1/4, z+1/4, -x-1/4'
      'y-1/4, z-1/4, -x+1/4'
      '-z+1/4, x+1/4, y+1/4'
      '-z+1/4, x-1/4, y-1/4'
      '-z-1/4, x+1/4, y-1/4'
      '-z-1/4, x-1/4, y+1/4'
      'y+1/4, -z+1/4, x+1/4'
      'y+1/4, -z-1/4, x-1/4'
      'y-1/4, -z+1/4, x-1/4'
      'y-1/4, -z-1/4, x+1/4'
      'z+1/4, x+1/4, -y+1/4'
      'z+1/4, x-1/4, -y-1/4'
      'z-1/4, x+1/4, -y-1/4'
      'z-1/4, x-1/4, -y+1/4'
      'z+1/4, -x+1/4, y+1/4'
      'z+1/4, -x-1/4, y-1/4'
      'z-1/4, -x+1/4, y-1/4'
      'z-1/4, -x-1/4, y+1/4'
      '-y+1/4, z+1/4, x+1/4'
      '-y+1/4, z-1/4, x-1/4'
      '-y-1/4, z+1/4, x-1/4'
      '-y-1/4, z-1/4, x+1/4'
      'y+1/4, x+1/4, -z+1/4'
      'y+1/4, x-1/4, -z-1/4'
      'y-1/4, x+1/4, -z-1/4'
      'y-1/4, x-1/4, -z+1/4'
      '-y+1/4, -x+1/4, -z+1/4'
      '-y+1/4, -x-1/4, -z-1/4'
      '-y-1/4, -x+1/4, -z-1/4'
      '-y-1/4, -x-1/4, -z+1/4'
      '-x+1/4, z+1/4, y+1/4'
      '-x+1/4, z-1/4, y-1/4'
      '-x-1/4, z+1/4, y-1/4'
      '-x-1/4, z-1/4, y+1/4'
      '-x+1/4, -z+1/4, -y+1/4'
      '-x+1/4, -z-1/4, -y-1/4'
      '-x-1/4, -z+1/4, -y-1/4'
      '-x-1/4, -z-1/4, -y+1/4'
      'z+1/4, -y+1/4, x+1/4'
      'z+1/4, -y-1/4, x-1/4'
      'z-1/4, -y+1/4, x-1/4'
      'z-1/4, -y-1/4, x+1/4'
      '-z+1/4, -y+1/4, -x+1/4'
      '-z+1/4, -y-1/4, -x-1/4'
      '-z-1/4, -y+1/4, -x-1/4'
      '-z-1/4, -y-1/4, -x+1/4'
      'x+1/4, y+1/4, -z+1/4'
      'x+1/4, y-1/4, -z-1/4'
      'x-1/4, y+1/4, -z-1/4'
      'x-1/4, y-1/4, -z+1/4'
      '-x+1/4, y+1/4, z+1/4'
      '-x+1/4, y-1/4, z-1/4'
      '-x-1/4, y+1/4, z-1/4'
      '-x-1/4, y-1/4, z+1/4'
      'x+1/4, -y+1/4, z+1/4'
      'x+1/4, -y-1/4, z-1/4'
      'x-1/4, -y+1/4, z-1/4'
      'x-1/4, -y-1/4, z+1/4'
      '-y, -x, z'
      '-y, -x+1/2, z+1/2'
      '-y+1/2, -x, z+1/2'
      '-y+1/2, -x+1/2, z'
      'y, x, z'
      'y, x+1/2, z+1/2'
      'y+1/2, x, z+1/2'
      'y+1/2, x+1/2, z'
      'x, -z, -y'
      'x, -z+1/2, -y+1/2'
      'x+1/2, -z, -y+1/2'
      'x+1/2, -z+1/2, -y'
      'x, z, y'
      'x, z+1/2, y+1/2'
      'x+1/2, z, y+1/2'
      'x+1/2, z+1/2, y'
      '-z, y, -x'
      '-z, y+1/2, -x+1/2'
      '-z+1/2, y, -x+1/2'
      '-z+1/2, y+1/2, -x'
      'z, y, x'
      'z, y+1/2, x+1/2'
      'z+1/2, y, x+1/2'
      'z+1/2, y+1/2, x'

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_thermal_displace_type
      _atom_site_occupancy
      Mg1 Mg2+ 0 0 0 0.00531936 Uiso 0.86
      Al1 Al3+ 0 0 0 0.00531936 Uiso 0.14
      Al2 Al3+ 0.625 0.625 0.625 0.00430615 Uiso 0.93
      Mg2 Mg2+ 0.625 0.625 0.625 0.00430615 Uiso 0.07
      O1 O2- 0.3872 0.3872 0.3872 0.00747244 Uiso 1

_eof

#### End of Crystallographic Information File ####

贊一下

回復(fù)此樓

2樓2014-12-01 20:17:06

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

valenhou001

至尊木蟲 (職業(yè)作家)

1ST強(qiáng)帖: 13
應(yīng)助: 241 (大學(xué)生)
金幣: 25701.7
散金: 602
紅花: 166
帖子: 3782
在線: 873.8小時(shí)
蟲號(hào): 1007127
注冊(cè): 2010-04-27
專業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)

【答案】應(yīng)助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感謝參與，應(yīng)助指數(shù) +1
houyanhui8: 金幣+15, ★★★★★最佳答案, 謝謝侯老師現(xiàn)身 2014-12-03 01:03:10

對(duì)于這種問(wèn)題，只要自己動(dòng)動(dòng)就可以找到一大堆文獻(xiàn)給出里該化學(xué)物的結(jié)構(gòu)參數(shù)，因?yàn)檫@種礦物的結(jié)構(gòu)很典型，被研究的很廣泛了。
http://www.chemtube3d.com/solidstate/_spinel(final).htm
http://www.colorado.edu/engineer ... venth%20section.pdf
http://www.theorphys.science.ru.nl/publ/p02/fir-65-2002.pdf

It has the formula MgAl2O4 and gives its name to the family of compounds that share the same structural arrangement. Consequently, here we will name as spinel to any material of general formulation AB2X4 which crystallizes in the cubic (isometric) crystal system with space group Fd3 ̄m (No. 227). In this structure, shown in Fig.2.1, the X anions are located at (u, u, u), Wyckoff position 32e, with u ≈ 0.25. They are arranged in a cubic close- packed lattice. In addition, the cations A and B occupy in the lattice respectively tetrahedral (1/8, 1/8, 1/8) sites, Wyckoff position 8a, and octahedral (1/2, 1/2, 1/2) sites, Wyckoff position 16d. Therefore, the single positional parameter u plus the unit-cell parameter a are sufficient to determine the spinel structure.

贊一下

回復(fù)此樓

» 本帖附件資源列表

歡迎監(jiān)督和反饋：小木蟲僅提供交流平臺(tái)，不對(duì)該內(nèi)容負(fù)責(zé)。
本內(nèi)容由用戶自主發(fā)布，如果其內(nèi)容涉及到知識(shí)產(chǎn)權(quán)問(wèn)題，其責(zé)任在于用戶本人，如對(duì)版權(quán)有異議，請(qǐng)聯(lián)系郵箱：xiaomuchong@tal.com
附件 1 : 9783642403668-c1.pdf

2014-12-02 20:03:05, 677.53 K

3樓2014-12-02 20:03:27

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

valenhou001

至尊木蟲 (職業(yè)作家)

1ST強(qiáng)帖: 13
應(yīng)助: 241 (大學(xué)生)
金幣: 25701.7
散金: 602
紅花: 166
帖子: 3782
在線: 873.8小時(shí)
蟲號(hào): 1007127
注冊(cè): 2010-04-27
專業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)

【答案】應(yīng)助回帖

見(jiàn)這個(gè)帖子：
http://www.gaoyang168.com/bbs/viewthread.php?tid=3169076

贊一下

回復(fù)此樓

4樓2014-12-02 20:04:28

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

相關(guān)版塊跳轉(zhuǎn) 我要訂閱樓主 houyanhui8 的主題更新

返回列表

最具人氣熱帖推薦 [查看全部]		作者	回/看	最后發(fā)表

[考研] 332求調(diào)劑 +4	ydfyh 2026-03-17	4/200	2026-03-21 02:20 by JourneyLucky
[考研] 一志愿武理材料305分求調(diào)劑 +6	想上岸的鯉魚 2026-03-18	7/350	2026-03-21 01:03 by JourneyLucky
[考研] 22408 344分求調(diào)劑一志愿華電計(jì)算機(jī)技術(shù) +4	solanXXX 2026-03-20	4/200	2026-03-20 23:49 by alg094825
[考研] 一志愿武漢理工材料工程專碩調(diào)劑 +9	Doleres 2026-03-19	9/450	2026-03-20 22:36 by JourneyLucky
[考研] 一志愿南京航空航天大學(xué)大學(xué) ，080500材料科學(xué)與工程學(xué)碩 +5	@taotao 2026-03-20	5/250	2026-03-20 20:16 by JourneyLucky
[考研] 一志愿西安交通大學(xué) 學(xué)碩 354求調(diào)劑 +3	我想要讀研究生 2026-03-20	3/150	2026-03-20 20:13 by JourneyLucky
[考研] 環(huán)境工程調(diào)劑 +9	大可digkids 2026-03-16	9/450	2026-03-20 17:38 by 醉在風(fēng)里
[考研] 能源材料化學(xué)課題組招收碩士研究生8-10名 +5	脫穎而出 2026-03-16	14/700	2026-03-20 09:30 by kkcoco25
[考研] 梁成偉老師課題組歡迎你的加入 +9	一鴨鴨喲 2026-03-14	11/550	2026-03-19 17:22 by ！本暗一次！
[考研] 0854可跨調(diào)劑，一作一項(xiàng)核心論文五項(xiàng)專利，省、國(guó)級(jí)證書40+數(shù)一英一287 +8	小李0854 2026-03-16	8/400	2026-03-18 14:35 by 搏擊518
[考研] 收復(fù)試調(diào)劑生 +4	雨后秋荷 2026-03-18	4/200	2026-03-18 14:16 by elevennnne
[考研] 304求調(diào)劑 +12	小熊joy 2026-03-14	13/650	2026-03-18 12:34 by Linda Hu
[考研] 0854，計(jì)算機(jī)類招收調(diào)劑 +3	胡辣湯放糖 2026-03-15	6/300	2026-03-18 12:09 by 上岸上岸……..
[考研] 268求調(diào)劑 +8	一定有學(xué)上- 2026-03-14	9/450	2026-03-17 17:47 by laoshidan
[考研] 材料專碩326求調(diào)劑 +6	墨煜姒莘 2026-03-15	7/350	2026-03-17 17:10 by ruiyingmiao
[考研] 東南大學(xué)364求調(diào)劑 +5	JasonYuiui 2026-03-15	5/250	2026-03-16 21:28 by 木瓜膏
[考研] 0856專碩279求調(diào)劑 +5	加油加油！? 2026-03-15	5/250	2026-03-15 11:58 by 2020015
[考研] 070305求調(diào)劑 +3	mlpqaz03 2026-03-14	4/200	2026-03-15 11:04 by peike
[考研] 中科大材料與化工319求調(diào)劑 +3	孟鑫材料 2026-03-14	3/150	2026-03-14 20:10 by ms629
[考研] 289求調(diào)劑 +4	這么名字咋樣 2026-03-14	6/300	2026-03-14 18:58 by userper