版块导航: 正在加载中...

登录注册

应《网络安全法》要求，自2017年10月1日起，未进行实名认证将不得使用互联网跟帖服务。为保障您的帐号能够正常使用，请尽快对帐号进行手机号验证，感谢您的理解与支持！

24小时热门版块排行榜

返回列表

当前主题已经存档。

ljf7768

木虫 (初入文坛)

应助: 0 (幼儿园)
金币: 2159.8
帖子: 33
在线: 30.6小时
虫号: 595590
注册: 2008-09-08
性别: GG
专业: 凝聚态物性 II ：电子结构

[交流] 求助 Y2SiO5的晶体结构参数

如题，谢谢大家啊。

回复此楼

» 猜你喜欢

中南大学易小艺课题组诚招2026申请-考核制博士生已经有0人回复
海南师范大学招收化学博士（光电功能材料课题组招收博士研究生）已经有10人回复
无机化学论文润色/翻译怎么收费? 已经有178人回复
求助几个团簇的cif 已经有0人回复
急求该反应的详细机理已经有4人回复
【Ei | Scopus 双检索】2026年智能交通与未来出行国际会议（CSTFM 2026）已经有0人回复
【EI|Scopus 双检索】2026年第六届机器人与人工智能国际会议（JCRAI 2026）已经有0人回复

1楼 2009-04-01 17:42:04

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

zcy800204

金虫 (正式写手)

CMEI: 2
应助: 13 (小学生)
金币: 1614.5
散金: 2097
红花: 10
帖子: 974
在线: 844.1小时
虫号: 267733
注册: 2006-07-23
性别: GG
专业: 有机合成

★
waiy2001(金币+1,VIP+0):谢谢了 4-1 21:32

只有Y2 Si2 O7

PDF#74-1994: QM=Calculated; d=Calculated; I=Calculated
Yttrialite-(Y), syn
Y2 Si2 O7
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= d-Cutoff=17.7 I/Ic(RIR)=3.41
Ref= Calculated from ICSD using POWD-12++ (1997)

Monoclinic - (Unknown),  P21/m (11) Z=2 mp=
Cell=7.5x8.06x5.02<112.0> Pearson=mP22 ($GG)
Density(c)=4.083 Density(m)=4.000 Mwt=345.98 Vol=281.36 F(30)=77.1(.0076,51)
Ref= Batalieva, N.G., Pyatenko, Y.A.
Kristallografiya, 16 905 (1971)
Strong Line: 3.05/X 2.63/4 4.65/3 3.48/3 2.39/3 4.03/2 1.54/2 2.06/2 2.02/2 1.74/1
FIZ=028004: Calc.
density unusual but tolerable.
ITF Prepared in electric arc at about 1173 K.
See PDF 00-024-1428.
R(hk0)=0.089, R(h0l)=0.16.
Artificial Yttrialite (gamma-Phase) - a Representative of a New Structure Type in the Rare Earth Diorthosilicate Series f2 e5 b a (P121/M1) A2B2X7
d(A)    I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
6.9539 2.1 0.9 1 0 0      12.719 6.360 0.0719 0.9036
5.2651 0.2 0.1 1 1 0      16.825 8.412 0.0950 1.1934
4.7841 0.9 0.6 -1 0 1      18.531 9.265 0.1045 1.3133
4.6545 34.6 22.6 0 0 1      19.052 9.526 0.1074 1.3499
4.1140 3.9 2.9 -1 1 1      21.583 10.791 0.1215 1.5273
4.0300 16.0 12.1 0 1 1      22.038 11.019 0.1241 1.5591
4.0300 16.0 12.1 0 2 0      22.038 11.019 0.1241 1.5591
3.4798 29.2 25.6 2 0 0      25.578 12.789 0.1437 1.8056
3.4798 29.2 25.6 -2 0 1      25.578 12.789 0.1437 1.8056
3.3336 0.9 0.8 1 0 1      26.720 13.360 0.1500 1.8848
3.1925 13.1 12.5 -2 1 1      27.924 13.962 0.1566 1.9681
3.1925 13.1 12.5 2 1 0      27.924 13.962 0.1566 1.9681
3.0467 100.0 100.0 0 2 1      29.290 14.645 0.1641 2.0623
2.6326 43.8 50.8 2 2 0      34.027 17.014 0.1899 2.3867
2.6326 43.8 50.8 -2 2 1      34.027 17.014 0.1899 2.3867
2.5687 0.8 0.9 1 2 1      34.900 17.450 0.1947 2.4461
2.5077 0.2 0.2 -1 0 2      35.777 17.889 0.1994 2.5056
2.5077 0.2 0.2 1 3 0      35.777 17.889 0.1994 2.5056
2.4781 0.2 0.2 -3 0 1      36.218 18.109 0.2018 2.5354
2.3893 27.6 35.2 2 0 1      37.615 18.808 0.2093 2.6298
2.3893 27.6 35.2 -2 0 2      37.615 18.808 0.2093 2.6298
2.3426 0.7 0.9 -1 3 1      38.394 19.197 0.2134 2.6822
2.3272 9.2 12.0 0 0 2      38.657 19.329 0.2148 2.6999
2.3272 9.2 12.0 0 3 1      38.657 19.329 0.2148 2.6999
2.3180 5.4 7.1 3 0 0      38.818 19.409 0.2157 2.7107
2.2932 0.4 0.5 2 1 1      39.254 19.627 0.2180 2.7399
2.2932 0.4 0.5 -2 1 2      39.254 19.627 0.2180 2.7399
2.2277 0.2 0.3 3 1 0      40.459 20.229 0.2244 2.8205
2.1291 0.3 0.4 -1 2 2      42.419 21.210 0.2348 2.9511
2.1291 0.3 0.4 -2 3 1      42.419 21.210 0.2348 2.9511
2.1110 0.2 0.3 -3 2 1      42.802 21.401 0.2369 2.9764
2.0767 1.1 1.6 -3 0 2      43.544 21.772 0.2408 3.0255
2.0570 15.6 23.1 2 2 1      43.983 21.992 0.2431 3.0546
2.0570 15.6 23.1 -2 2 2      43.983 21.992 0.2431 3.0546
2.0150 15.6 23.6 0 2 2      44.949 22.475 0.2481 3.1182
2.0150 15.6 23.6 0 4 0      44.949 22.475 0.2481 3.1182
2.0093 9.0 13.6 3 2 0      45.084 22.542 0.2488 3.1271
2.0093 9.0 13.6 -3 1 2      45.084 22.542 0.2488 3.1271
1.9936 0.3 0.5 1 0 2      45.459 22.729 0.2508 3.1517
1.9353 0.2 0.3 1 1 2      46.909 23.455 0.2584 3.2467
1.9353 0.2 0.3 1 4 0      46.909 23.455 0.2584 3.2467
1.8750 7.6 12.3 -4 0 1      48.512 24.256 0.2667 3.3510
1.8570 0.2 0.3 -1 4 1      49.013 24.506 0.2693 3.3835
1.8491 2.3 3.8 0 4 1      49.235 24.618 0.2704 3.3979
1.8460 2.0 3.3 -3 2 2      49.324 24.662 0.2709 3.4036
1.8332 0.4 0.7 -1 3 2      49.692 24.846 0.2727 3.4274
1.8205 0.2 0.3 3 0 1      50.062 25.031 0.2746 3.4513
1.8205 0.2 0.3 -3 3 1      50.062 25.031 0.2746 3.4513
1.7866 1.7 2.9 2 3 1      51.082 25.541 0.2799 3.5169
1.7866 1.7 2.9 -2 3 2      51.082 25.541 0.2799 3.5169
1.7758 0.6 1.0 3 1 1      51.414 25.707 0.2816 3.5382
1.7591 0.6 1.0 0 3 2      51.939 25.970 0.2842 3.5719
1.7550 0.5 0.9 3 3 0      52.067 26.033 0.2849 3.5801
1.7437 14.6 25.5 2 4 0      52.430 26.215 0.2867 3.6033
1.7437 14.6 25.5 -2 4 1      52.430 26.215 0.2867 3.6033
1.7399 11.8 20.7 -4 0 2      52.554 26.277 0.2874 3.6112
1.7399 11.8 20.7 4 0 0      52.554 26.277 0.2874 3.6112
1.7244 0.3 0.5 1 4 1      53.062 26.531 0.2899 3.6436
1.7000 6.0 10.8 4 1 0      53.886 26.943 0.2941 3.6960
1.7000 6.0 10.8 -4 2 1      53.886 26.943 0.2941 3.6960
1.6684 3.3 6.0 2 0 2      54.994 27.497 0.2997 3.7661
1.6684 3.3 6.0 -2 0 3      54.994 27.497 0.2997 3.7661
1.6591 0.4 0.7 3 2 1      55.327 27.664 0.3014 3.7871
1.6431 0.1 0.2 -3 3 2      55.913 27.957 0.3043 3.8240
1.6322 0.1 0.2 2 1 2      56.317 28.159 0.3063 3.8494
1.6322 0.1 0.2 -2 1 3      56.317 28.159 0.3063 3.8494
1.6178 0.1 0.2 -1 1 3      56.865 28.432 0.3091 3.8837
1.5974 7.9 15.1 -4 2 2      57.660 28.830 0.3130 3.9334
1.5974 7.9 15.1 4 2 0      57.660 28.830 0.3130 3.9334
1.5707 0.1 0.2 1 5 0      58.733 29.366 0.3183 4.0001
1.5707 0.1 0.2 -1 4 2      58.733 29.366 0.3183 4.0001
1.5644 0.2 0.4 -3 4 1      58.995 29.498 0.3196 4.0164
1.5644 0.2 0.4 -3 1 3      58.995 29.498 0.3196 4.0164
1.5515 1.1 2.2 0 0 3      59.534 29.767 0.3223 4.0498
1.5402 16.0 31.6 2 4 1      60.013 30.007 0.3246 4.0793
1.5402 16.0 31.6 2 2 2      60.013 30.007 0.3246 4.0793
1.5376 8.7 17.2 -4 3 1      60.128 30.064 0.3252 4.0864
1.5233 5.1 10.2 0 5 1      60.749 30.375 0.3282 4.1246
1.5233 5.1 10.2 0 4 2      60.749 30.375 0.3282 4.1246
1.5207 2.8 5.6 3 4 0      60.865 30.432 0.3288 4.1317
1.5071 0.3 0.6 3 3 1      61.474 30.737 0.3318 4.1690
1.4950 0.2 0.4 -5 0 1      62.026 31.013 0.3344 4.2028
1.4828 0.4 0.8 -3 2 3      62.593 31.296 0.3372 4.2373
1.4609 1.3 2.7 -4 0 3      63.641 31.820 0.3423 4.3008
1.4609 1.3 2.7 -4 3 2      63.641 31.820 0.3423 4.3008
1.4592 1.4 2.9 -5 0 2      63.723 31.861 0.3426 4.3058
1.4592 1.4 2.9 4 0 1      63.723 31.861 0.3426 4.3058
1.4479 2.0 4.2 0 2 3      64.281 32.141 0.3453 4.3395
1.4375 0.1 0.2 -4 1 3      64.803 32.401 0.3478 4.3709
1.4359 0.2 0.4 4 1 1      64.884 32.442 0.3482 4.3758
1.4359 0.2 0.4 -5 1 2      64.884 32.442 0.3482 4.3758
1.4172 0.1 0.2 2 3 2      65.848 32.924 0.3528 4.4336
1.4172 0.1 0.2 1 4 2      65.848 32.924 0.3528 4.4336
1.4069 0.1 0.2 1 0 3      66.392 33.196 0.3554 4.4660
1.4069 0.1 0.2 -1 3 3      66.392 33.196 0.3554 4.4660
1.4017 0.2 0.4 -5 2 1      66.672 33.336 0.3567 4.4826
1.4017 0.2 0.4 3 0 2      66.672 33.336 0.3567 4.4826
1.3908 0.1 0.2 5 0 0      67.263 33.631 0.3595 4.5177
1.3855 0.1 0.2 1 1 3      67.555 33.777 0.3609 4.5350
1.3801 0.1 0.2 3 1 2      67.855 33.927 0.3623 4.5528
1.3727 2.7 6.0 4 2 1      68.272 34.136 0.3643 4.5774
1.3727 2.7 6.0 -4 4 1      68.272 34.136 0.3643 4.5774
1.3705 1.5 3.3 5 1 0      68.393 34.197 0.3648 4.5845
1.3560 0.1 0.2 -1 5 2      69.229 34.615 0.3687 4.6336
1.3508 0.1 0.2 3 4 1      69.532 34.766 0.3701 4.6513
1.3508 0.1 0.2 -3 5 1      69.532 34.766 0.3701 4.6513
1.3435 0.4 0.9 0 6 0      69.964 34.982 0.3721 4.6766
1.3435 0.4 0.9 0 3 3      69.964 34.982 0.3721 4.6766
1.3279 0.1 0.2 1 2 3      70.913 35.456 0.3765 4.7317
1.3234 0.1 0.2 3 2 2      71.187 35.594 0.3778 4.7477
1.3234 0.1 0.2 3 5 0      71.187 35.594 0.3778 4.7477
1.3163 1.7 3.9 4 4 0      71.633 35.817 0.3799 4.7734
1.3163 1.7 3.9 -4 4 2      71.633 35.817 0.3799 4.7734
1.3072 0.1 0.2 -5 0 3      72.209 36.104 0.3825 4.8066
1.3072 0.1 0.2 -5 3 1      72.209 36.104 0.3825 4.8066
1.2907 2.2 5.2 -5 1 3      73.284 36.642 0.3874 4.8682
1.2907 2.2 5.2 0 6 1      73.284 36.642 0.3874 4.8682
1.2851 0.6 1.4 2 4 2      73.656 36.828 0.3891 4.8894
1.2851 0.6 1.4 -2 4 3      73.656 36.828 0.3891 4.8894
1.2823 0.4 1.0 4 3 1      73.840 36.920 0.3899 4.8999
1.2823 0.4 1.0 -5 3 2      73.840 36.920 0.3899 4.8999
1.2734 0.1 0.2 -3 5 2      74.444 37.222 0.3927 4.9342
1.2531 4.5 10.9 2 0 3      75.863 37.932 0.3990 5.0143
1.2531 4.5 10.9 2 6 0      75.863 37.932 0.3990 5.0143
1.2505 2.5 6.1 -3 4 3      76.048 38.024 0.3998 5.0247
1.2434 0.2 0.5 -5 2 3      76.556 38.278 0.4021 5.0531
1.2434 0.2 0.5 -3 0 4      76.556 38.278 0.4021 5.0531
1.2387 0.7 1.7 -6 0 1      76.903 38.451 0.4037 5.0724
1.2387 0.7 1.7 -2 1 4      76.903 38.451 0.4037 5.0724
1.2351 0.4 1.0 5 3 0      77.168 38.584 0.4048 5.0872
1.2293 1.1 2.7 -3 1 4      77.599 38.799 0.4067 5.1111
1.2293 1.1 2.7 0 4 3      77.599 38.799 0.4067 5.1111
1.2137 0.1 0.3 5 0 1      78.791 39.396 0.4120 5.1770
1.2109 0.1 0.3 -1 1 4      79.009 39.504 0.4129 5.1890
1.2069 0.1 0.3 3 5 1      79.322 39.661 0.4143 5.2061
1.2006 0.1 0.3 -5 4 1      79.816 39.908 0.4164 5.2332
1.2006 0.1 0.3 5 1 1      79.816 39.908 0.4164 5.2332
1.1972 0.7 1.8 -4 0 4      80.089 40.045 0.4176 5.2481
1.1972 0.7 1.8 -2 2 4      80.089 40.045 0.4176 5.2481
1.1946 0.5 1.3 4 0 2      80.299 40.150 0.4185 5.2595
1.1881 0.1 0.3 -3 2 4      80.835 40.417 0.4209 5.2886
1.1844 1.6 4.1 -6 2 2      81.140 40.570 0.4222 5.3051
1.1844 1.6 4.1 -6 2 1      81.140 40.570 0.4222 5.3051
1.1819 2.1 5.4 -5 4 2      81.347 40.673 0.4231 5.3163
1.1819 2.1 5.4 4 4 1      81.347 40.673 0.4231 5.3163
1.1754 0.1 0.3 -5 3 3      81.886 40.943 0.4254 5.3453
1.1713 0.8 2.1 -2 6 2      82.240 41.120 0.4269 5.3644
1.1713 0.8 2.1 2 6 1      82.240 41.120 0.4269 5.3644
1.1634 1.2 3.1 0 6 2      82.918 41.459 0.4298 5.4006
1.1634 1.2 3.1 0 0 4      82.918 41.459 0.4298 5.4006
1.1599 0.9 2.4 -6 0 3      83.223 41.611 0.4311 5.4169
1.1590 0.7 1.8 2 5 2      83.306 41.653 0.4314 5.4213
1.1590 0.7 1.8 6 0 0      83.306 41.653 0.4314 5.4213
1.1536 0.1 0.3 -1 5 3      83.787 41.893 0.4334 5.4468
1.1536 0.1 0.3 1 4 3      83.787 41.893 0.4334 5.4468
1.1517 0.1 0.3 0 1 4      83.954 41.977 0.4341 5.4557
1.1466 0.6 1.6 -4 2 4      84.411 42.206 0.4361 5.4798
1.1466 0.6 1.6 6 1 0      84.411 42.206 0.4361 5.4798
1.1454 0.8 2.1 4 2 2      84.523 42.262 0.4365 5.4857
1.1454 0.8 2.1 5 4 0      84.523 42.262 0.4365 5.4857
1.1355 0.1 0.3 2 3 3      85.432 42.716 0.4403 5.5334
1.1355 0.1 0.3 1 7 0      85.432 42.716 0.4403 5.5334
1.1279 0.1 0.3 -3 6 2      86.144 43.072 0.4433 5.5705
1.1279 0.1 0.3 -3 3 4      86.144 43.072 0.4433 5.5705
1.1249 0.2 0.5 -6 3 2      86.434 43.217 0.4445 5.5856
1.1249 0.2 0.5 -6 3 1      86.434 43.217 0.4445 5.5856
1.1179 0.7 1.9 0 7 1      87.104 43.552 0.4472 5.6203
1.1179 0.7 1.9 0 2 4      87.104 43.552 0.4472 5.6203
1.1147 0.8 2.2 -1 3 4      87.424 43.712 0.4486 5.6368
1.1147 0.8 2.2 -6 2 3      87.424 43.712 0.4486 5.6368
1.1138 0.7 1.9 1 6 2      87.507 43.754 0.4489 5.6411
1.1138 0.7 1.9 6 2 0      87.507 43.754 0.4489 5.6411
1.1125 0.3 0.8 -5 1 4      87.639 43.819 0.4494 5.6478
1.1112 0.4 1.1 3 0 3      87.768 43.884 0.4500 5.6545
1.1061 0.1 0.3 5 3 1      88.282 44.141 0.4521 5.6807
1.0967 0.1 0.3 -5 4 3      89.239 44.619 0.4559 5.7294
1.0967 0.1 0.3 -5 5 1      89.239 44.619 0.4559 5.7294
1.0931 0.2 0.6 -4 3 4      89.612 44.806 0.4574 5.7483
1.0931 0.2 0.6 2 7 0      89.612 44.806 0.4574 5.7483
1.0920 0.3 0.8 4 3 2      89.721 44.861 0.4579 5.7538
1.0920 0.3 0.8 -4 6 1      89.721 44.861 0.4579 5.7538

赞一下(10人)

回复此楼

2楼2009-04-01 19:25:24

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

gyliu

铁杆木虫 (职业作家)

CMEI: 1
应助: 335 (大学生)
金币: 16537.7
散金: 9
红花: 128
帖子: 3257
在线: 512.8小时
虫号: 327449
注册: 2007-03-19
性别: GG
专业: 凝聚态物性I:结构、力学和

★
paopaomeng(金币+1,VIP+0):谢谢交流 9-28 19:01

*data for ICSD #153076
Coll Code 153076
Rec  Date 2006/10/01
Chem Name Diyttrium Silicate Oxide - X1
Structured  Y2 (Si O4) O
Sum       O5 Si1 Y2
ANX       AB2X5
D(calc)    5.29
Title    Advances in the structure and microstructure determination of yttrium
         silicates using the Rietveld method
Author(s) Cannas, C.;Musinu, A.;Piccaluga, G.;Deidda, C.;Serra, F.;Bazzoni,
         M.;Enzo, S.
Reference Journal of Solid State Chemistry
         (2005), 178, 1526-1532
Unit Cell 8.50(9) 6.82(4) 6.38(5) 90. 104(1) 90.
Vol       358.86
Z          4
Space Group P 1 21/c 1
SG Number 14
Cryst Sys monoclinic
Pearson    mP32
Wyckoff    e8
Red Cell P  6.38 6.82 8.5 89.999 104 89.999 358.863
Trans Red 0.000 0.000 1.000 / 0.000 -1.000 0.000 / 1.000 0.000 0.000
Comments This refinement is part of a Rietveld-analysis of an
         amorphous Si-Y-O component.
         Rietveld profile refinement applied
         X-ray diffraction (powder)
         No R value given in the paper.
         At least one temperature factor missing in the paper.
Atom  # OX SITE    x          y          z          SOF    H
Y 1  +3 4 e 0.11(1)    0.13(2)    0.31(3)       1.       0
Y 2  +3 4 e 0.46(1)    0.62(4)    0.24(2)       1.       0
Si 1  +4 4 e 0.15(4)    0.66(8)    0.32(6)       1.       0
O 1  -2 4 e 0.26(4)    0.36(7)    0.61(8)       1.       0
O 2  -2 4 e 0.77(6)    0.11(8)    0.15(8)       1.       0
O 3  -2 4 e 0.23(5)    0.52(8)    0.002(4)    1.       0
O 4  -2 4 e 0.05(4)    0.44(7)    0.37(7)       1.       0
O 5  -2 4 e 0.41(3)    0.37(7)    -0.02(3)    1.       0
*end for ICSD #153076

赞一下(10人)

回复此楼

3楼2009-04-02 08:41:55

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

gyliu

铁杆木虫 (职业作家)

CMEI: 1
应助: 335 (大学生)
金币: 16537.7
散金: 9
红花: 128
帖子: 3257
在线: 512.8小时
虫号: 327449
注册: 2007-03-19
性别: GG
专业: 凝聚态物性I:结构、力学和

*data for ICSD #51591
Coll Code 51591
Rec  Date 2003/10/01
Chem Name Diyttrium Silicate Oxide
Structured  Y2 (Si O4) O
Sum       O5 Si1 Y2
ANX       AB2X5
D(calc)    4.78
Title    Preparation and x-ray characterization of low-temperature phases of
         R2 Si O5 (R = rare earth elements)
Author(s) Wang, J.-G.;Tian, S.-J.;Li, G.-B.;Liao, F.-H.;Jing, X.-P.
Reference Materials Research Bulletin
         (2001), 36, 1855-1861
Unit Cell 9.0139(2) 6.9282(1) 6.6427(1) 90 106.682(2) 90
Vol       397.38
Z          4
Space Group P 1 21/c 1
SG Number 14
Cryst Sys monoclinic
Pearson    mP32
Wyckoff    e8
R Value    .063
Red Cell P  6.642 6.928 9.013 89.999 106.681 89.999 397.378
Trans Red 0.000 0.000 1.000 / 0.000 -1.000 0.000 / 1.000 0.000 0.000
Comments The structure has been assigned a PDF number (calculated
         powder diffraction data): 01-070-5613
         Rietveld profile refinement applied
         X-ray diffraction (powder)
Atom  # OX SITE    x          y          z          SOF    H       ITF(U)
Y 1  +3 4 e 0.1198(21)  0.1396(4) 0.4268(3)    1.       0       0.02511
Y 2  +3 4 e 0.5225(2) 0.6273(6) 0.2340(3)    1.       0       0.02877
Si 1  +4 4 e 0.1994(7) 0.5924(8) 0.480(1)    1.       0       0.00821
O 1  -2 4 e 0.199(1) 0.415(1) 0.649(3)    1.       0       0.02221
O 2  -2 4 e 0.123(1) 0.487(2) 0.274(2)    1.       0       0.02858
O 3  -2 4 e 0.372(2) 0.644(3) 0.504(2)    1.       0       0.02617
O 4  -2 4 e 0.090(1) 0.777(1) 0.475(2)    1.       0       0.00108
O 5  -2 4 e 0.378(1) 0.375(2) 0.037(2)    1.       0       0.01194
*end for ICSD #51591

赞一下

回复此楼

4楼2009-04-02 08:42:51

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

gyliu

铁杆木虫 (职业作家)

CMEI: 1
应助: 335 (大学生)
金币: 16537.7
散金: 9
红花: 128
帖子: 3257
在线: 512.8小时
虫号: 327449
注册: 2007-03-19
性别: GG
专业: 凝聚态物性I:结构、力学和

*data for ICSD #28021
Coll Code 28021
Rec  Date 1980/01/01
Mod  Date 2007/08/01
Chem Name Diyttrium Silicate Oxide
Structured  Y2 (Si O4) O
Sum       O5 Si1 Y2
ANX       AB2X5
D(calc)    4.45
Title    Crystal structure of yttrium oxyorthosilicate Y2 O3 Si O2 and Y2 Si
         O5. Dual function of yttrium
Author(s) Maksimov, B.A.;Ilyukhin, V.V.;Kharitonov, Yu.A.;Belov, N.V.
Reference Kristallografiya
         (1970), 15, 926-933
         Doklady Akademii Nauk SSSR
         (1968), 183, 1072-1072
         Powder Diffraction
         (1986), 1, 77-99
Unit Cell 10.410(3) 6.721(2) 12.490(5) 90. 102.65(3) 90.
Vol       852.66
Z          8
Space Group I 1 2/a 1
SG Number 15
Cryst Sys monoclinic
Pearson    mS64
Wyckoff    f8
R Value    .1
Red Cell I  6.721 7.946 9.571 72.240 69.446 64.983 426.329
Trans Red 0.000 -1.000 0.000 / 0.500 -0.500 0.500 / -0.500 -0.500 0.500
Comments Origin shifted by 1/4 0 0 to fit space group setting
         Cell from 3rd ref. (McMurdie et al., National Bureau of
         Standards): 10.4210(13), 6.7282(8), 12.5020(15),
         102.682(10)
         The structure has been assigned a PDF number (experimental
         powder diffraction data): 36-1476
         Structure type : (Mn,Fe)2PO4F
         X-ray diffraction from single crystal
         Unusual difference between calculated and measured density
         At least one temperature factor is implausible or
         meaningless but agrees with the value given in the paper.
         The coordinates given in the paper contain an error. The
         values in the database have been corrected.
Atom  # OX SITE    x          y          z          SOF    H       ITF(B)
Y 1  +3 8 f 0.306    0.378    0.141       1.       0          0.34
Y 2  +3 8 f 0.429    -.257    -.037       1.       0          0.35
Si 1  +4 8 f 0.373    -.093    0.181       1.       0          0.02
O 1  -2 8 f 0.3       -.287    0.118       1.       0          0.41
O 2  -2 8 f 0.446    -.002    0.089       1.       0          0.61
O 3  -2 8 f 0.468    -.157    0.298       1.       0          0.65
O 4  -2 8 f 0.263    0.071    0.203       1.       0          0.38
O 5  -2 8 f 0.382    0.398    -.015       1.       0          0.72
*end for ICSD #28021

赞一下

回复此楼

5楼2009-04-02 08:43:16

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

gyliu

铁杆木虫 (职业作家)

CMEI: 1
应助: 335 (大学生)
金币: 16537.7
散金: 9
红花: 128
帖子: 3257
在线: 512.8小时
虫号: 327449
注册: 2007-03-19
性别: GG
专业: 凝聚态物性I:结构、力学和

★ ★
warlen(金币+2,VIP+0):3q，辛苦了！ 4-2 16:04

*data for ICSD #27003
Coll Code 27003
Rec  Date 1980/01/01
Mod  Date 2007/04/01
Chem Name Yttrium Silicate Oxide
Structured  Y2 (Si O4) O
Sum       O5 Si1 Y2
ANX       AB2X5
D(calc)    4.29
Title    Structure de Y2 Si O5
Author(s) Michel, C.;Buisson, G.;Bertaut, E.F.
Reference Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie B
         (1967), 264, 397-399
Unit Cell 14.59 10.52 6.82 90. 90. 122.25
Vol       885.29
Z          8
Space Group B 1 1 2/b
SG Number 15
Cryst Sys monoclinic
Pearson    mS64
Wyckoff    f8
R Value    .114
Red Cell B  6.82 8.052 9.675 72.141 69.363 64.946 442.645
Trans Red 0.000 0.000 1.000 / 0.500 0.000 0.500 / 0.500 1.000 0.500
Comments Origin shifted by 1/4 0 1/4 to fit space group setting, cf.
         28021, contains 4 mol% Bi3+
         The structure has been assigned a PDF number (calculated
         powder diffraction data): 01-073-6238
         Structure type : (Mn,Fe)2PO4F
         X-ray diffraction from single crystal
         Unusual difference between calculated and measured density
         The coordinates given in the paper contain an error. The
         values in the database have been corrected.
Atom  # OX SITE    x          y          z          SOF    H       ITF(B)
Y 1  +3 8 f 0.537(1) -.031(1) 0.241(2)    1.       0          0.9
Y 2  +3 8 f 0.357(1) -.335(2) 0.880(2)    1.       0          1.3
Si 1  +4 8 f 0.316(3) -.304(5) 0.414(6)    1.       0          1.5
O 1  -2 8 f 0.374(6) -.334(10) 0.213(13)    1.       0          2.2
O 2  -2 8 f 0.407(6) -.156(10) 0.492(10)    1.       0          5.2
O 3  -2 8 f 0.204(6) -.325(10) 0.372(10)    1.       0          4.5
O 4  -2 8 f 0.312(6) -.404(10) 0.594(10)    1.       0          4.8
O 5  -2 8 f 0.519(6) -.106(10) 0.915(10)    1.       0          4.6
*end for ICSD #27003

赞一下(10人)

回复此楼

6楼2009-04-02 08:43:39

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

ljf7768

木虫 (初入文坛)

应助: 0 (幼儿园)
金币: 2159.8
帖子: 33
在线: 30.6小时
虫号: 595590
注册: 2008-09-08
性别: GG
专业: 凝聚态物性 II ：电子结构

非常感谢大家，这是原来的的求助，因为当时想做这个材料，后来放弃了，改别的方向了，所以就没有再继续留意这个主题，今天闲着没事看到了好心的zcy800204 和gyliu 的回帖。非常详细，内心的感激真是无法形容，真诚的说声谢谢

赞一下

回复此楼

7楼2009-09-28 17:24:10

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 ljf7768 的主题更新

返回列表