Structures by: Xue X.

Total: 45

Dft optimized protoenstatite

MgO3Si

Kanzaki, M.Xue, X.

Journal of Petrological and Mineralogical Sciences (2017) 112, 359-364

a=9.2732Å   b=8.7266Å   c=5.3217Å

α=90°   β=90°   γ=90°

MgSiO3 protoenstatite

MgO3Si

Kanzaki, M.Xue, X.

Journal of Petrological and Mineralogical Sciences (2017) 112, 359-364

a=9.25655(9)Å   b=8.73919(9)Å   c=5.31939(5)Å

α=90°   β=90°   γ=90°

Low-pressure CaAl0.5Si0.5O2.75 phase model1

Al0.5CaO2.75Si0.5

Kanzaki, M.Xue, X.Wu, Y.Nie, S.

Physics and Chemistry of Minerals (2017) 44, 717-733

a=9.1372(2)Å   b=5.22418(11)Å   c=17.5119(4)Å

α=90°   β=100.0114(8)°   γ=90°

Low-pressure CaAl0.4Si0.6O2.8 phase

Al0.4CaO2.8Si0.6

Kanzaki, M.Xue, X.Wu, Y.Nie, S.

Physics and Chemistry of Minerals (2017) 44, 717-733

a=9.036(2)Å   b=5.18766(12)Å   c=21.6291(5)Å

α=90°   β=97.9987(9)°   γ=90°

Zn2SiO4 IV

O4SiZn2

Liu, X.Kanzaki, M.Xue, X.

Physics and Chemistry of Minerals (2013) 40, 467-478

a=10.9179(4)Å   b=9.6728(4)Å   c=6.1184(2)Å

α=90°   β=90°   γ=90°

Zn2SiO4 III

O4SiZn2

Liu, X.Kanzaki, M.Xue, X.

Physics and Chemistry of Minerals (2013) 40, 467-478

a=10.2897(5)Å   b=6.6711(3)Å   c=5.0691(2)Å

α=90°   β=90°   γ=90°

CaSiO3 cubic perovskite

CaO3Si

Kanzaki, M.Stebbins, J.F.Xue, X.

Geophysical Research Letters (1991) 18, 463-466

a=3.564(1)Å   b=3.564(1)Å   c=3.564(1)Å

α=90°   β=90°   γ=90°

C36H52Cl2CoN4Si2,0.5(Cl6Co2),2(C6H6)

C36H52Cl2CoN4Si2,0.5(Cl6Co2),2(C6H6)

He, ZhiyuanXue, XiaolianLiu, YilanYu, NaKrogman, Jeremy P.

Dalton transactions (Cambridge, England : 2003) (2020) 49, 36 12586-12591

a=26.502(2)Å   b=13.2285(9)Å   c=18.1814(15)Å

α=90°   β=117.706(2)°   γ=90°

C42H82Cl4Fe2N6Si6

C42H82Cl4Fe2N6Si6

He, ZhiyuanXue, XiaolianLiu, YilanYu, NaKrogman, Jeremy P.

Dalton transactions (Cambridge, England : 2003) (2020) 49, 36 12586-12591

a=10.0727(9)Å   b=12.8695(12)Å   c=13.2383(11)Å

α=67.489(4)°   β=85.051(5)°   γ=67.086(4)°

C30H46Cl4FeN4Si2

C30H46Cl4FeN4Si2

He, ZhiyuanXue, XiaolianLiu, YilanYu, NaKrogman, Jeremy P.

Dalton transactions (Cambridge, England : 2003) (2020) 49, 36 12586-12591

a=11.4312(7)Å   b=17.2983(12)Å   c=19.8767(16)Å

α=90°   β=105.599(2)°   γ=90°

C60H120Cl2Fe2N8Si10

C60H120Cl2Fe2N8Si10

He, ZhiyuanXue, XiaolianLiu, YilanYu, NaKrogman, Jeremy P.

Dalton transactions (Cambridge, England : 2003) (2020) 49, 36 12586-12591

a=37.0728(13)Å   b=13.2937(5)Å   c=17.4231(6)Å

α=90°   β=110.4720(10)°   γ=90°

C30H46Br0.84Cl3.16MnN4Si2

C30H46Br0.84Cl3.16MnN4Si2

He, ZhiyuanXue, XiaolianLiu, YilanYu, NaKrogman, Jeremy P.

Dalton transactions (Cambridge, England : 2003) (2020) 49, 36 12586-12591

a=10.5954(9)Å   b=10.9184(8)Å   c=17.2222(14)Å

α=77.080(4)°   β=79.212(4)°   γ=73.855(4)°

C27H59ClFeN4Si5

C27H59ClFeN4Si5

He, ZhiyuanXue, XiaolianLiu, YilanYu, NaKrogman, Jeremy P.

Dalton transactions (Cambridge, England : 2003) (2020) 49, 36 12586-12591

a=26.9482(14)Å   b=16.5518(8)Å   c=8.8695(4)Å

α=90°   β=90°   γ=90°

C36H48Cl4N4Si2,C7H8

C36H48Cl4N4Si2,C7H8

He, ZhiyuanXue, XiaolianLiu, YilanYu, NaKrogman, Jeremy P.

Dalton transactions (Cambridge, England : 2003) (2020) 49, 36 12586-12591

a=11.9514(9)Å   b=19.3184(16)Å   c=19.1714(17)Å

α=90°   β=91.199(2)°   γ=90°

C42H82Cl4Co2N6Si6

C42H82Cl4Co2N6Si6

He, ZhiyuanXue, XiaolianLiu, YilanYu, NaKrogman, Jeremy P.

Dalton transactions (Cambridge, England : 2003) (2020) 49, 36 12586-12591

a=10.9455(12)Å   b=14.6642(16)Å   c=18.3130(19)Å

α=90°   β=100.479(3)°   γ=90°

C42H82Cl4Mn2N6Si6

C42H82Cl4Mn2N6Si6

He, ZhiyuanXue, XiaolianLiu, YilanYu, NaKrogman, Jeremy P.

Dalton transactions (Cambridge, England : 2003) (2020) 49, 36 12586-12591

a=14.052(3)Å   b=13.466(2)Å   c=16.318(2)Å

α=90°   β=106.756(6)°   γ=90°

C21H14Br2FN3Zn

C21H14Br2FN3Zn

Liang, XingJiang, JinzhangXue, XingyongHuang, LingDing, XuanxuanNong, DongmeiChen, HailanPan, LixiaMa, Zhen

Dalton transactions (Cambridge, England : 2003) (2019) 48, 28 10488-10504

a=13.774(3)Å   b=14.789(3)Å   c=19.060(4)Å

α=90°   β=93.81(3)°   γ=90°

C21H14I3N3Zn

C21H14I3N3Zn

Liang, XingJiang, JinzhangXue, XingyongHuang, LingDing, XuanxuanNong, DongmeiChen, HailanPan, LixiaMa, Zhen

Dalton transactions (Cambridge, England : 2003) (2019) 48, 28 10488-10504

a=14.083(3)Å   b=15.755(3)Å   c=19.635(4)Å

α=90°   β=90°   γ=90°

C21H14ClI2N3Zn

C21H14ClI2N3Zn

Liang, XingJiang, JinzhangXue, XingyongHuang, LingDing, XuanxuanNong, DongmeiChen, HailanPan, LixiaMa, Zhen

Dalton transactions (Cambridge, England : 2003) (2019) 48, 28 10488-10504

a=14.040(3)Å   b=15.296(3)Å   c=19.559(4)Å

α=90°   β=90°   γ=90°

C21H14Br3N3Zn

C21H14Br3N3Zn

Liang, XingJiang, JinzhangXue, XingyongHuang, LingDing, XuanxuanNong, DongmeiChen, HailanPan, LixiaMa, Zhen

Dalton transactions (Cambridge, England : 2003) (2019) 48, 28 10488-10504

a=9.0757(18)Å   b=15.534(3)Å   c=14.621(3)Å

α=90°   β=103.49(3)°   γ=90°

C84H56F4I8N12Zn4

C84H56F4I8N12Zn4

Liang, XingJiang, JinzhangXue, XingyongHuang, LingDing, XuanxuanNong, DongmeiChen, HailanPan, LixiaMa, Zhen

Dalton transactions (Cambridge, England : 2003) (2019) 48, 28 10488-10504

a=14.0571(4)Å   b=14.9076(3)Å   c=19.6740(6)Å

α=90°   β=90°   γ=90°

C21H14BrI2N3Zn

C21H14BrI2N3Zn

Liang, XingJiang, JinzhangXue, XingyongHuang, LingDing, XuanxuanNong, DongmeiChen, HailanPan, LixiaMa, Zhen

Dalton transactions (Cambridge, England : 2003) (2019) 48, 28 10488-10504

a=9.0871(18)Å   b=15.805(3)Å   c=15.288(3)Å

α=90°   β=102.77(3)°   γ=90°

C35H35BrN4O3

C35H35BrN4O3

Jiang, DaoyongXue, XingyingZhang, GuoningWang, YuchengZhang, HanFeng, ChaoWang, ZhifeiZhao, Hong

Journal of Materials Chemistry C (2019) 7, 12 3576

a=21.676(4)Å   b=11.875(2)Å   c=12.363(3)Å

α=90.00°   β=90.00°   γ=90.00°

C35H34Br2N4O3

C35H34Br2N4O3

Jiang, DaoyongXue, XingyingZhang, GuoningWang, YuchengZhang, HanFeng, ChaoWang, ZhifeiZhao, Hong

Journal of Materials Chemistry C (2019) 7, 12 3576

a=11.757(2)Å   b=12.113(2)Å   c=22.483(5)Å

α=90.00°   β=90.00°   γ=90.00°

Flickinflimbric acid

C38H58O8,0.5(O2)

Chen, Jin-LongZhao, Zhi-MinXue, XueTang, Gui-HuaZhu, Long-PingYang, De-PoJiang, Lin

RSC Adv. (2014) 4, 28 14447

a=22.0224(3)Å   b=10.29590(10)Å   c=7.91170(10)Å

α=90.00°   β=98.2600(10)°   γ=90.00°

Flickinflimbrolide-2,3-acetonide

C22H34O5

Chen, Jin-LongZhao, Zhi-MinXue, XueTang, Gui-HuaZhu, Long-PingYang, De-PoJiang, Lin

RSC Adv. (2014) 4, 28 14447

a=11.9418(3)Å   b=12.1022(3)Å   c=14.2821(3)Å

α=90.00°   β=90.00°   γ=90.00°

C36H50N4

C36H50N4

He, ZhiyuanXue, XiaolianLiu, YilanYu, NaKrogman, Jeremy P.

Dalton transactions (Cambridge, England : 2003) (2020) 49, 36 12586-12591

a=7.7897(4)Å   b=27.7273(18)Å   c=7.9686(5)Å

α=90°   β=104.039(2)°   γ=90°

C21H14Br2IN3Zn

C21H14Br2IN3Zn

Liang, XingJiang, JinzhangXue, XingyongHuang, LingDing, XuanxuanNong, DongmeiChen, HailanPan, LixiaMa, Zhen

Dalton transactions (Cambridge, England : 2003) (2019) 48, 28 10488-10504

a=9.3250(19)Å   b=15.850(3)Å   c=14.480(3)Å

α=90°   β=103.45(3)°   γ=90°

Cu4H23N0Na2O76Sb2W18

Cu4H23N0Na2O76Sb2W18

Xue, XiaolongZhao, XiaofangZhang, DeshunHan, ZhangangYu, haitaoZhai, Xueliang

RSC Adv. (2014)

a=16.466(4)Å   b=16.466(4)Å   c=14.115(6)Å

α=90.00°   β=90.00°   γ=90.00°

C33H48Cl4Co2N8Si2

C33H48Cl4Co2N8Si2

Wang, PengLi, HaifenXue, XiaoyanChen, Xia

Dalton transactions (Cambridge, England : 2003) (2015) 44, 10 4718-4725

a=15.054(3)Å   b=15.565(3)Å   c=17.937(4)Å

α=90.00°   β=107.10(3)°   γ=90.00°

C32H46Cl2Fe2N8Si2,CH2Cl2

C32H46Cl2Fe2N8Si2,CH2Cl2

Wang, PengLi, HaifenXue, XiaoyanChen, Xia

Dalton transactions (Cambridge, England : 2003) (2015) 44, 10 4718-4725

a=15.103(3)Å   b=15.635(3)Å   c=17.934(3)Å

α=90.00°   β=106.776(2)°   γ=90.00°

C32H46Li2N8Si2

C32H46Li2N8Si2

Wang, PengLi, HaifenXue, XiaoyanChen, Xia

Dalton transactions (Cambridge, England : 2003) (2015) 44, 10 4718-4725

a=15.4886(7)Å   b=19.2519(9)Å   c=12.1325(5)Å

α=90.00°   β=90.00°   γ=90.00°

C36H38Cl2N8Ti2

C36H38Cl2N8Ti2

Wang, PengLi, HaifenXue, XiaoyanChen, Xia

Dalton transactions (Cambridge, England : 2003) (2015) 44, 10 4718-4725

a=9.3921(19)Å   b=18.774(4)Å   c=12.411(3)Å

α=90.00°   β=111.67(3)°   γ=90.00°

C19H22Cl2N4Ti

C19H22Cl2N4Ti

Wang, PengLi, HaifenXue, XiaoyanChen, Xia

Dalton transactions (Cambridge, England : 2003) (2015) 44, 10 4718-4725

a=12.856(2)Å   b=7.1985(11)Å   c=21.868(3)Å

α=90.00°   β=102.232(2)°   γ=90.00°

MgSiO3 low-clinoenstatite

MgO3Si

Kanzaki, M.Xue, X.

Journal of Petrological and Mineralogical Sciences (2017) 112, 359-364

a=9.61327(13)Å   b=8.82246(8)Å   c=5.17455(6)Å

α=90°   β=108.331(1)°   γ=90°

Aluminum orthophosphate

AlO4P

Kanzaki, MasamiXue, XianyuReibstein, SindyBerryman, EleanorNamgung, Seonyi

Acta Crystallographica Section B (2011) 67, 1 30-40

a=6.13280(10)Å   b=7.51510(10)Å   c=8.58010(10)Å

α=98.2630(7)°   β=104.6220(8)°   γ=102.1398(8)°

Aluminum orthophosphate

AlO4P

Kanzaki, MasamiXue, XianyuReibstein, SindyBerryman, EleanorNamgung, Seonyi

Acta Crystallographica Section B (2011) 67, 1 30-40

a=6.13219(6)Å   b=14.34650(10)Å   c=8.57620(9)Å

α=90.0°   β=104.7426(5)°   γ=90.0°

Dioxo-bis(8-quinolinolato-N,O)tungsten(VI)

C18H12N2O4W

S.Shanmuga Sundara RajHoong-Kun FunZhen-Feng ChenJing ZhangXiang XueRen-Gen XiongXiao-Zeng You

Acta Crystallographica Section C (1999) 55, 12 2037-2039

a=13.3506(3)Å   b=9.43970(10)Å   c=13.5106(3)Å

α=90.00°   β=109.5660(10)°   γ=90.00°

Dichloridobis{6-methyl-2-[(trimethylsilyl)amino]pyridine- κ<i>N</i>^1^}cobalt(II)

C18H32Cl2CoN4Si2

Xue, XiaoyanChen, XiaTong, Hongbo

Acta Crystallographica Section E (2009) 65, 8 m957

a=14.817(3)Å   b=12.554(4)Å   c=14.886(2)Å

α=90.00°   β=114.09(2)°   γ=90.00°

C9H13NO6S

C9H13NO6S

Yong-Rong XieRen-Gen XiongXiang XueXue-Tai ChenZiling XueXiao-Zeng You

Inorganic Chemistry (2002) 41, 3323-3326

a=6.5297(9)Å   b=7.6212(15)Å   c=11.6114(14)Å

α=90.00°   β=93.637(10)°   γ=90.00°

C9H13NO7SZn

C9H13NO7SZn

Yong-Rong XieRen-Gen XiongXiang XueXue-Tai ChenZiling XueXiao-Zeng You

Inorganic Chemistry (2002) 41, 3323-3326

a=6.3656(2)Å   b=11.6782(3)Å   c=16.9190(5)Å

α=90.00°   β=90.00°   γ=90.00°

C9H13CuNO7S

C9H13CuNO7S

Yong-Rong XieRen-Gen XiongXiang XueXue-Tai ChenZiling XueXiao-Zeng You

Inorganic Chemistry (2002) 41, 3323-3326

a=6.2058(8)Å   b=11.4263(15)Å   c=17.959(2)Å

α=90.00°   β=90.00°   γ=90.00°

C6H6Cd0.5N5O

C6H6Cd0.5N5O

Xiang XueXi-Sen WangLi-Zhong WangRen-Gen XiongBrendan F. AbrahamsXiao-Zeng YouZi-Ling XueChi-Ming Che

Inorganic Chemistry (2002) 41, 6544-6546

a=8.4360(4)Å   b=8.0018(4)Å   c=10.8795(5)Å

α=90.00°   β=95.4880(10)°   γ=90.00°

C6H5Cd1.5ClN5O

C6H5Cd1.5ClN5O

Xiang XueXi-Sen WangLi-Zhong WangRen-Gen XiongBrendan F. AbrahamsXiao-Zeng YouZi-Ling XueChi-Ming Che

Inorganic Chemistry (2002) 41, 6544-6546

a=7.0056(3)Å   b=12.6282(6)Å   c=21.3318(10)Å

α=90.00°   β=90.00°   γ=90.00°

AlPO4 moganite

Al3P3O12

Masami KanzakiXianyu Xue

Inorganic Chemistry (2012) 51, 6164-6172

a=8.7438(1)Å   b=4.85855(7)Å   c=10.8602(2)Å

α=90°   β=90.1276(9)°   γ=90°