查看: 2066  |  回复: 2
【悬赏金币】回答本帖问题,作者cyh时代将赠送您 30 个金币

cyh时代

银虫 (初入文坛)

[求助] 晶体结构求助 已有1人参与

求一下镁铝水滑石晶体结构文件,Mg和Al离子比例分别为4:1 3:1 2:1 1:1 1:2 1:3 1:4
回复此楼
加油,伟大的科研事业
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

rlafite

至尊木虫 (正式写手)

【答案】应助回帖

感谢参与,应助指数 +1
#=============Mg:Al=2:1=========================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1

_chemical_name_common                  'Mg-Al Layered Double Hydroxide'
_cell_length_a                         3.04245(2)
_cell_length_b                         3.04245(2)
_cell_length_c                         22.664143(1)
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      120.000000
_cell_volume                           181.684054
_space_group_name_H-M_alt              'R -3 m'
_space_group_IT_number                 166

loop_
_space_group_symop_operation_xyz
   'x, y, z'
   '-x, -y, -z'
   '-y, x-y, z'
   'y, -x+y, -z'
   '-x+y, -x, z'
   'x-y, x, -z'
   'y, x, -z'
   '-y, -x, z'
   'x-y, -y, -z'
   '-x+y, y, z'
   '-x, -x+y, -z'
   'x, x-y, z'
   'x+2/3t, y+1/3t, z+1/3t'
   '-x+2/3t, -y+1/3t, -z+1/3t'
   '-y+2/3t, x-y+1/3t, z+1/3t'
   'y+2/3t, -x+y+1/3t, -z+1/3t'
   '-x+y+2/3t, -x+1/3t, z+1/3t'
   'x-y+2/3t, x+1/3t, -z+1/3t'
   'y+2/3t, x+1/3t, -z+1/3t'
   '-y+2/3t, -x+1/3t, z+1/3t'
   'x-y+2/3t, -y+1/3t, -z+1/3t'
   '-x+y+2/3t, y+1/3t, z+1/3t'
   '-x+2/3t, -x+y+1/3t, -z+1/3t'
   'x+2/3t, x-y+1/3t, z+1/3t'
   'x+1/3t, y+2/3t, z+2/3t'
   '-x+1/3t, -y+2/3t, -z+2/3t'
   '-y+1/3t, x-y+2/3t, z+2/3t'
   'y+1/3t, -x+y+2/3t, -z+2/3t'
   '-x+y+1/3t, -x+2/3t, z+2/3t'
   'x-y+1/3t, x+2/3t, -z+2/3t'
   'y+1/3t, x+2/3t, -z+2/3t'
   '-y+1/3t, -x+2/3t, z+2/3t'
   'x-y+1/3t, -y+2/3t, -z+2/3t'
   '-x+y+1/3t, y+2/3t, z+2/3t'
   '-x+1/3t, -x+y+2/3t, -z+2/3t'
   'x+1/3t, x-y+2/3t, z+2/3t'

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
   Mg         0.6667  0.000000     0.000000     0.000000    Uiso  ? Mg
   Al         0.3333  0.000000     0.000000     0.000000    Uiso  ? Al
   O1         1.0     0.000000     0.000000     0.3747(4)   Uiso  ? O
   O2         0.1760  0.125(3)    -0.125(3)     0.500000    Uiso  ? O
   C          0.0833  0.333333     0.666667     0.500000    Uiso  ? C
2楼2025-04-23 00:08:02
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

cyh时代

银虫 (初入文坛)

加油,伟大的科研事业
3楼2025-04-23 11:45:36
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
相关版块跳转 我要订阅楼主 cyh时代 的主题更新
不应助 确定回帖应助 (注意:应助才可能被奖励,但不允许灌水,必须填写15个字符以上)
最具人气热帖推荐 [查看全部] 作者 回/看 最后发表
[硕博家园] 极限拉扯,如何抉择 +6 Isak0320 2026-10-12 8/400 2026-10-12 20:09 by caixiaoye1
[基金申请] 入职后第一次管课题组的专利缴费,对账才发现官费比别人多掏了一倍 +6 13108017953 2026-10-08 6/300 2026-10-12 20:07 by w3w3y3
[有机交流] OpenAI又攻克数学难题了,离AI做有机合成还有多远? +4 wangyl_123 2026-10-10 8/400 2026-10-12 18:09 by wangyl_123
[教师之家] 课题组会帮你通过考核么? +3 好运来~9527 2026-10-10 6/300 2026-10-12 14:55 by 简单化xn
[公派出国] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 +5 qR2AdCWTVtkw 2026-10-09 9/450 2026-10-11 22:34 by XQNyDCa1Tk5n
[找工作] 售SCI一区T0P文章,我:8.O55.1.O.54,科目全,可十急 +5 qR2AdCWTVtkw 2026-10-09 8/400 2026-10-11 22:26 by XQNyDCa1Tk5n
[公派出国] 售SCI一区文章,我:8O5.5.1.O5.4,科目全,可伽急 +5 qR2AdCWTVtkw 2026-10-09 10/500 2026-10-11 22:26 by XQNyDCa1Tk5n
[考博] 售SCI一区T0P文章,我:8.O55.1.O.54,科目全,可十急 +5 qR2AdCWTVtkw 2026-10-09 9/450 2026-10-11 22:15 by XQNyDCa1Tk5n
[考博] 售SCI一区文章,我:8.O.55.1.O.54,科目齐全,可伽急 +3 qR2AdCWTVtkw 2026-10-09 7/350 2026-10-11 22:11 by XQNyDCa1Tk5n
[教师之家] 售SCI文章,我:8O5.5.1.O.54,科目齐全,可+急 (EPI+-1)(金币-50) +5 qR2AdCWTVtkw 2026-10-09 10/500 2026-10-11 22:06 by XQNyDCa1Tk5n
[基金申请] 售SCI一区T0P文章,我:8.O.55.1.O54,科目全,可伽急 +5 qR2AdCWTVtkw 2026-10-09 9/450 2026-10-11 22:06 by XQNyDCa1Tk5n
[教师之家] 售SCI一区T0P文章,我:8.O.55.1.O.5.4,科目全,可+急 (EPI+-1)(金币-50) +5 qR2AdCWTVtkw 2026-10-09 10/500 2026-10-11 14:25 by VOMexwnDzOFZ
[教师之家] 售SCI文章,我:8O.5.5.1O.54,科目全,可十急 (EPI+-1)(金币-50) +4 qR2AdCWTVtkw 2026-10-09 7/350 2026-10-11 14:05 by VOMexwnDzOFZ
[考研] 售SCI文章,我:8O.5.5.1O.54,科目全,可十急 +5 qR2AdCWTVtkw 2026-10-09 8/400 2026-10-11 13:51 by VOMexwnDzOFZ
[找工作] 售SCI一区T0P文章,我:8O.55.1.O.5.4,科目齐全,可+急 +3 qR2AdCWTVtkw 2026-10-09 7/350 2026-10-11 10:54 by VOMexwnDzOFZ
[找工作] 售SCI一区T0P文章,我:8O.55.1.O.5.4,科目齐全,可+急 +4 qR2AdCWTVtkw 2026-10-09 7/350 2026-10-11 10:34 by VOMexwnDzOFZ
[考博] 招收博士生一名 +3 mandolin 2026-10-10 3/150 2026-10-11 10:21 by 不是山谷!
[公派出国] 售SCI一区T0P文章,我:8O.55.1.O.54,科目全,可伽急 +4 qR2AdCWTVtkw 2026-10-09 4/200 2026-10-11 03:14 by M0zrYVSAnxpE
[有机交流] 各位大佬,路线设计求助 +6 zapen 2026-10-08 8/400 2026-10-10 15:59 by zapen
[有机交流] 我应该选哪条合成路线让实验成功率高一些? +5 jing816y 2026-10-08 9/450 2026-10-10 09:05 by zapen
信息提示
请填处理意见