Structures published

Total: 58

Stepanovite

NaFeC₆O_122,MgO₆H_122,H₆O₃

Huskic, Igor Novendra, Novendra Lim, Dae-Woon Topić, Filip Titi, Hatem M.Pekov, I. V.Krivovichev, S.Navrotsky, Alexandra Kitagawa, Hiroshi Friščić, Tomislav

Chemical Science (2019)

a=9.8670(9)Å b=9.8670(9)Å c=36.735(3)Å

α=90° β=90° γ=120°

Stepanovite, hexagonal polzmorph

NaFeC₆O_122,MgH₁₂O_62,H₆O₃

Huskic, Igor Novendra, Novendra Lim, Dae-Woon Topić, Filip Titi, Hatem M.Pekov, I. V.Krivovichev, S.Navrotsky, Alexandra Kitagawa, Hiroshi Friščić, Tomislav

Chemical Science (2019)

a=16.9954(12)Å b=16.9954(12)Å c=12.3838(10)Å

α=90° β=90° γ=120°

Stepanovite, hexagonal polymorph

NaFeC₆O_122,MgH₁₂O_62,H₆O₃

Huskic, Igor Novendra, Novendra Lim, Dae-Woon Topić, Filip Titi, Hatem M.Pekov, I. V.Krivovichev, S.Navrotsky, Alexandra Kitagawa, Hiroshi Friščić, Tomislav

Chemical Science (2019)

a=17.0033(11)Å b=17.0033(11)Å c=12.4160(8)Å

α=90° β=90° γ=120°

Sodium magnesium iron(III) oxalate hexahydrate

NaFeC₆O_122,MgH₁₂O₆₂

Huskic, Igor Novendra, Novendra Lim, Dae-Woon Topić, Filip Titi, Hatem M.Pekov, I. V.Krivovichev, S.Navrotsky, Alexandra Kitagawa, Hiroshi Friščić, Tomislav

Chemical Science (2019)

a=9.7560(8)Å b=9.7560(8)Å c=10.117(3)Å

α=90° β=90° γ=120°

Lutetium(III) Oxide (2/3)

Lu₂O₃

Pavlik, III, Alfred J.Ushakov, Sergey V.Navrotsky, Alexandra Benmore, Chris J.Weber, Richard J.K.

Journal of Nuclear Materials (2017) 495, 385

a=10.5476(15)Å b=10.5476(15)Å c=10.5476(15)Å

α=90° β=90° γ=90°

Lutetium(III) Oxide (2/3)

Lu₂O₃

Pavlik, III, Alfred J.Ushakov, Sergey V.Navrotsky, Alexandra Benmore, Chris J.Weber, Richard J.K.

Journal of Nuclear Materials (2017) 495, 385

a=10.4786(22)Å b=10.4786(22)Å c=10.4786(22)Å

α=90° β=90° γ=90°

Lutetium(III) Oxide (2/3)

Lu₂O₃

Pavlik, III, Alfred J.Ushakov, Sergey V.Navrotsky, Alexandra Benmore, Chris J.Weber, Richard J.K.

Journal of Nuclear Materials (2017) 495, 385

a=10.5278(4)Å b=10.5278(4)Å c=10.5278(4)Å

α=90° β=90° γ=90°

Ytterbium(III) Oxide (2/3)

O₃Yb₂

Pavlik, III, Alfred J.Ushakov, Sergey V.Navrotsky, Alexandra Benmore, Chris J.Weber, Richard J.K.

Journal of Nuclear Materials (2017) 495, 385

a=10.5078(8)Å b=10.5078(8)Å c=10.5078(8)Å

α=90° β=90° γ=90°

Ytterbium(III) Oxide (2/3)

O₃Yb₂

Pavlik, III, Alfred J.Ushakov, Sergey V.Navrotsky, Alexandra Benmore, Chris J.Weber, Richard J.K.

Journal of Nuclear Materials (2017) 495, 385

a=10.5629(4)Å b=10.5629(4)Å c=10.5629(4)Å

α=90° β=90° γ=90°

Ytterbium(III) Oxide (2/3)

O₃Yb₂

Pavlik, III, Alfred J.Ushakov, Sergey V.Navrotsky, Alexandra Benmore, Chris J.Weber, Richard J.K.

Journal of Nuclear Materials (2017) 495, 385

a=10.6552(8)Å b=10.6552(8)Å c=10.6552(8)Å

α=90° β=90° γ=90°

(K0.02 Cs0.98)3 (Si3 Ti4 O15 (O H)) (H2 O)4.57

Cs_2.94H_10.14K_0.06O_20.57Si₃Ti₄

Xu Hongwu Navrotsky, A.Nyman, M.Nenoff, T.M.

Microporous and Mesoporous Materials (2004) 772, 209-218

a=7.8264Å b=7.8264Å c=7.8264Å

α=90° β=90° γ=90°

(K0.33 Cs0.67)3 (Si3 Ti4 O15 (O H)) (H2 O)4.95

Cs_1.998K_0.99O₂₀Si₃Ti₄

Xu Hongwu Navrotsky, A.Nenoff, T.M.Nyman, M.

Microporous and Mesoporous Materials (2004) 772, 209-218

a=7.8078Å b=7.8078Å c=7.8078Å

α=90° β=90° γ=90°

(K0.5 Cs0.5)3 (Si3 Ti4 O15 (O H)) (H2 O)4.87

Cs_1.5K_1.5O₂₀Si₃Ti₄

Xu Hongwu Navrotsky, A.Nyman, M.Nenoff, T.M.

Microporous and Mesoporous Materials (2004) 772, 209-218

a=7.8009Å b=7.8009Å c=7.8009Å

α=90° β=90° γ=90°

(K0.67 Cs0.33)3 (Si3 Ti4 O15 (O H)) (H2 O)5.18

Cs_1.002K_2.01O₂₀Si₃Ti₄

Xu Hongwu Nyman, M.Navrotsky, A.Nenoff, T.M.

Microporous and Mesoporous Materials (2004) 772, 209-218

a=7.7849Å b=7.7849Å c=7.7849Å

α=90° β=90° γ=90°

Sodium magnesium iron(III) oxalate hexahydrate

NaFeC₆O_122,Mg(H₂O)₆₂

Huskic, Igor Novendra, Novendra Lim, Dae-Woon Topić, Filip Titi, Hatem M.Pekov, I. V.Krivovichev, S.Navrotsky, Alexandra Kitagawa, Hiroshi Friščić, Tomislav

Chemical Science (2019)

a=9.77454(19)Å b=9.77454(19)Å c=29.7940(11)Å

α=90° β=90° γ=120°

Catena-(tetrakis(m2-2-trifluoromethylimidazolato)-di-zinc)

C₈H₄F₆N₄Zn

Arhangelskis, Mihails Katsenis, Athanassios D.Novendra, Novendra Akimbekov, Zamirbek Gandrath, Dayaker Marrett, Joseph M.Ayoub, Ghada Morris, Andrew J.Farha, Omar K.Friščić, Tomislav Navrotsky, Alexandra

Chemistry of Materials (2019) 31, 10 3777

a=8.8027(4)Å b=8.8027(4)Å c=12.7893(6)Å

α=90° β=90° γ=120°

Catena-(tetrakis(m2-2-trifluoromethylimidazolato)-di-zinc)

C₈H₄F₆N₄Zn

Chemistry of Materials (2019) 31, 10 3777

a=17.5317(8)Å b=17.5317(8)Å c=17.5317(8)Å

α=90° β=90° γ=90°

C₄H₃F₃N₂

Chemistry of Materials (2019) 31, 10 3777

a=7.5862(16)Å b=9.8792(18)Å c=7.6926(18)Å

α=90° β=108.970(18)° γ=90°

C₄H₄BaO₆

Leah N. Appelhans Monica Kosa A. V. Radha Petra Simoncic Alexandra Navrotsky Michele Parrinello Anthony K. Cheetham

Journal of the American Chemical Society (2009) 131, 15375-15386

a=8.328(2)Å b=10.116(3)Å c=7.2451(19)Å

α=90.00° β=91.338(4)° γ=90.00°

C₄H₆BaO₇

Leah N. Appelhans Monica Kosa A. V. Radha Petra Simoncic Alexandra Navrotsky Michele Parrinello Anthony K. Cheetham

Journal of the American Chemical Society (2009) 131, 15375-15386

a=10.8268(7)Å b=9.9887(7)Å c=8.5250(6)Å

α=90.00° β=126.5880(10)° γ=90.00°

C₄H₄CaO₆

Leah N. Appelhans Monica Kosa A. V. Radha Petra Simoncic Alexandra Navrotsky Michele Parrinello Anthony K. Cheetham

Journal of the American Chemical Society (2009) 131, 15375-15386

a=17.593(6)Å b=7.906(3)Å c=9.462(3)Å

α=90.00° β=121.066(5)° γ=90.00°

C₄H₁₂CaO₁₀

Leah N. Appelhans Monica Kosa A. V. Radha Petra Simoncic Alexandra Navrotsky Michele Parrinello Anthony K. Cheetham

Journal of the American Chemical Society (2009) 131, 15375-15386

a=6.2584(15)Å b=8.251(2)Å c=10.448(3)Å

α=94.887(6)° β=105.914(6)° γ=107.662(5)°

C₄H₄CaO₆

Leah N. Appelhans Monica Kosa A. V. Radha Petra Simoncic Alexandra Navrotsky Michele Parrinello Anthony K. Cheetham

Journal of the American Chemical Society (2009) 131, 15375-15386

a=7.6418(10)Å b=9.9656(13)Å c=7.2395(9)Å

α=90.00° β=90.00° γ=90.00°

C₄H₁₂O₁₀Sr

Leah N. Appelhans Monica Kosa A. V. Radha Petra Simoncic Alexandra Navrotsky Michele Parrinello Anthony K. Cheetham

Journal of the American Chemical Society (2009) 131, 15375-15386

a=6.4031(6)Å b=8.4315(8)Å c=10.4933(10)Å

α=95.196(2)° β=106.402(2)° γ=107.052(2)°

C₈H₁₈Ba₂O₁₇

Leah N. Appelhans Monica Kosa A. V. Radha Petra Simoncic Alexandra Navrotsky Michele Parrinello Anthony K. Cheetham

Journal of the American Chemical Society (2009) 131, 15375-15386

a=18.7973(16)Å b=5.1127(4)Å c=18.5512(16)Å

α=90.00° β=104.305(2)° γ=90.00°

C₄H₈BaO₈

Leah N. Appelhans Monica Kosa A. V. Radha Petra Simoncic Alexandra Navrotsky Michele Parrinello Anthony K. Cheetham

Journal of the American Chemical Society (2009) 131, 15375-15386

a=6.4820(7)Å b=7.9770(8)Å c=16.6234(17)Å

α=90.00° β=95.501(2)° γ=90.00°

C₄H₄O₆Sr

Leah N. Appelhans Monica Kosa A. V. Radha Petra Simoncic Alexandra Navrotsky Michele Parrinello Anthony K. Cheetham

Journal of the American Chemical Society (2009) 131, 15375-15386

a=18.306(3)Å b=8.0984(13)Å c=9.6058(15)Å

α=90.00° β=121.334(3)° γ=90.00°

C₄H₄O₆Sr

Leah N. Appelhans Monica Kosa A. V. Radha Petra Simoncic Alexandra Navrotsky Michele Parrinello Anthony K. Cheetham

Journal of the American Chemical Society (2009) 131, 15375-15386

a=7.8865(10)Å b=10.0448(10)Å c=7.5186(8)Å

α=90.00° β=90.00° γ=90.00°

Barium Potassium Iron Arsenide

As₂Ba_0.32Fe₂K_0.68

Zaikina, Julia V.Batuk, Maria Abakumov, Artem M.Navrotsky, Alexandra Kauzlarich, Susan M.

Journal of the American Chemical Society (2014) 141121132150009

a=3.88324(10)Å b=3.88324(10)Å c=13.53814(10)Å

α=90° β=90° γ=90°

Barium Potassium Iron Arsenide

As₂Ba_0.52Fe₂K_0.48

Zaikina, Julia V.Batuk, Maria Abakumov, Artem M.Navrotsky, Alexandra Kauzlarich, Susan M.

Journal of the American Chemical Society (2014) 141121132150009

a=3.90675(10)Å b=3.90675(10)Å c=13.37425(10)Å

α=90° β=90° γ=90°

Barium Potassium Iron Arsenide

As₂Ba_0.84Fe₂K_0.16

Zaikina, Julia V.Batuk, Maria Abakumov, Artem M.Navrotsky, Alexandra Kauzlarich, Susan M.

Journal of the American Chemical Society (2014) 141121132150009

a=3.94518(10)Å b=3.94518(10)Å c=13.13219(10)Å

α=90° β=90° γ=90°

Barium Potassium Iron Arsenide

As₂Ba_0.84Fe₂K_0.16

Zaikina, Julia V.Batuk, Maria Abakumov, Artem M.Navrotsky, Alexandra Kauzlarich, Susan M.

Journal of the American Chemical Society (2014) 141121132150009

a=5.5864(2)Å b=5.5564(2)Å c=13.061(6)Å

α=90° β=90° γ=90°

Barium Iron Arsenide

As₂BaFe₂

Zaikina, Julia V.Batuk, Maria Abakumov, Artem M.Navrotsky, Alexandra Kauzlarich, Susan M.

Journal of the American Chemical Society (2014) 141121132150009

a=3.961(6)Å b=3.961(6)Å c=13.02(2)Å

α=90° β=90° γ=90°

Potassium Iron Arsenide

As₂Fe₂K

Zaikina, Julia V.Batuk, Maria Abakumov, Artem M.Navrotsky, Alexandra Kauzlarich, Susan M.

Journal of the American Chemical Society (2014) 141121132150009

a=3.849(2)Å b=3.849(2)Å c=13.867(3)Å

α=90° β=90° γ=90°

Barium Iron Arsenide

As₂BaFe₂

Zaikina, Julia V.Batuk, Maria Abakumov, Artem M.Navrotsky, Alexandra Kauzlarich, Susan M.

Journal of the American Chemical Society (2014) 141121132150009

a=5.6139(1)Å b=5.5746(1)Å c=12.9594(3)Å

α=90° β=90° γ=90°

Barium Potassium Iron Arsenide

As₂Ba_0.83Fe₂K_0.17

Zaikina, Julia V.Batuk, Maria Abakumov, Artem M.Navrotsky, Alexandra Kauzlarich, Susan M.

Journal of the American Chemical Society (2014) 141121132150009

a=3.94518(10)Å b=3.94518(10)Å c=13.13219(10)Å

α=90° β=90° γ=90°

C₄H₆O₇Sr

Leah N. Appelhans Monica Kosa A. V. Radha Petra Simoncic Alexandra Navrotsky Michele Parrinello Anthony K. Cheetham

Journal of the American Chemical Society (2009) 131, 15375-15386

a=6.6143(5)Å b=7.1191(5)Å c=7.8433(6)Å

α=90.00° β=98.334(2)° γ=90.00°

Lueshite

NaNb_0.95O_2.975Ti_0.05

Xu, H.Su, Y.Balmer, M. L.Navrotsky, A.

Chemistry of Materials (2003) 15, 1872-1878

a=5.5528Å b=15.5597Å c=5.5140Å

α=90° β=90° γ=90°

Lueshite

NaNbO₃

Xu, H.Su, Y.Balmer, M. L.Navrotsky, A.

Chemistry of Materials (2003) 15, 1872-1878

a=5.5625Å b=15.5495Å c=5.5138Å

α=90° β=90° γ=90°

Lueshite

NaNb_0.85O_2.925Ti_0.15

Xu, H.Su, Y.Balmer, M. L.Navrotsky, A.

Chemistry of Materials (2003) 15, 1872-1878

a=5.5396Å b=15.5705Å c=5.5087Å

α=90° β=90° γ=90°

Lueshite

NaNb_0.9O_2.95Ti_0.1

Xu, H.Su, Y.Balmer, M. L.Navrotsky, A.

Chemistry of Materials (2003) 15, 1872-1878

a=5.5428Å b=15.5632Å c=5.5094Å

α=90° β=90° γ=90°

Rhomboclase

FeH_3.028O₁₂S₂

Majzlan, J.Navrotsky, A.McCleskey, R. B.Alpers, C. N.

European Journal of Mineralogy (2006) 18, 175-186

a=9.7226Å b=18.2800Å c=5.4270Å

α=90° β=90° γ=90°

Lueshite

NaNb_0.8O_2.9Ti_0.2

Xu, H.Su, Y.Balmer, M. L.Navrotsky, A.

Chemistry of Materials (2003) 15, 1872-1878

a=5.5303Å b=15.5677Å c=5.5072Å

α=90° β=90° γ=90°

Rhomboclase

FeH_9.384O₁₂S₂

Majzlan J Navrotsky A McCleskey R B Alpers C N

European Journal of Mineralogy (2006) 18, 175-186

a=9.7226Å b=18.2800Å c=5.4270Å

α=90° β=90° γ=90°

Ferricopiapite

Fe_4.619O₄₆S₆

Majzlan, J.Navrotsky, A.McCleskey, R. B.Alpers, C. N.

European Journal of Mineralogy (2006) 18, 175-186

a=7.3867Å b=18.363Å c=7.3275Å

α=93.940° β=102.201° γ=98.916°

Perovskite

Ca₂O₆SiTi

Leinenweber, K.Grzechnik, A.Voorhees, M.Navrotsky, A.Yao, A.McMillan, P. F.

Physics and Chemistry of Minerals (1997) 24, 528-534

a=7.410Å b=7.410Å c=7.410Å

α=90° β=90° γ=90°

Wadsleyite

Mg₂O₄Si

Finger, L. W.Hazen, R. M.Zhang, J.Ko, J.Navrotsky, A.

Physics and Chemistry of Minerals (1993) 19, 361-368

a=5.6921Å b=11.460Å c=8.253Å

α=90° β=90° γ=90°

Wadsleyite

Fe_0.32Mg_1.68O₄Si

Finger, L. W.Hazen, R. M.Zhang, J.Ko, J.Navrotsky, A.

Physics and Chemistry of Minerals (1993) 19, 361-368

a=5.7119Å b=11.4681Å c=8.2799Å

α=90° β=90° γ=90°

Wadsleyite

Fe_0.16Mg_1.85O₄Si

Finger, L. W.Hazen, R. M.Zhang, J.Ko, J.Navrotsky, A.

Physics and Chemistry of Minerals (1993) 19, 361-368

a=5.7037Å b=11.4529Å c=8.2679Å

α=90° β=90° γ=90°

Wadsleyite

Fe_0.5Mg_1.5O₄Si

Finger, L. W.Hazen, R. M.Zhang, J.Ko, J.Navrotsky, A.

Physics and Chemistry of Minerals (1993) 19, 361-368

a=5.717Å b=11.506Å c=8.299Å

α=90° β=90° γ=90°

Wadsleyite

Fe_0.799Mg_1.201O₄Si

Finger, L. W.Hazen, R. M.Zhang, J.Ko, J.Navrotsky, A.

Physics and Chemistry of Minerals (1993) 19, 361-368

a=5.739Å b=11.515Å c=8.316Å

α=90° β=90° γ=90°

FeO₃Ti

Leinenweber, K.Linton, J.Navrotsky, A.Fei, Y.Parise, J. B.

Physics and Chemistry of Minerals (1995) 22, 251-258

a=5.12334Å b=5.12334Å c=13.76020Å

α=90° β=90° γ=120°

CaFe₃O₁₂Ti₄

Leinenweber, K.Linton, J.Navrotsky, A.Fei, Y.Parise, J. B.

Physics and Chemistry of Minerals (1995) 22, 251-258

a=7.46718Å b=7.46718Å c=7.46718Å

α=90° β=90° γ=90°

Hydronium jarosite

Fe_2.919H₆O_14.905S₂

Majzlan J Stevens R Boerio-Goates J Woodfield B F Navrotsky A Burns P C Crawford M K Amos T G

Physics and Chemistry of Minerals (2004) 31, 518-531

a=7.3559Å b=7.3559Å c=17.0186Å

α=90° β=90° γ=120°

Hydronium jarosite

H₉Fe₃O₁₅S₂

Majzlan J Stevens R Boerio-Goates J Woodfield B F Navrotsky A Burns P C Crawford M K Amos T G

Physics and Chemistry of Minerals (2004) 31, 518-531

a=7.3499Å b=7.3499Å c=17.0104Å

α=90° β=90° γ=120°

K₂O₉Si₃Ti

Xu, H.Navrotsky, A.Balmer, M. L.Su, Y.

Physics and Chemistry of Minerals (2005) 32, 426-435

a=6.7766Å b=6.7766Å c=9.9275Å

α=90° β=90° γ=120°

Wadeite

K₂O₉Si₃Zr

Xu, H.Navrotsky, A.Balmer, M. L.Su, Y.

Physics and Chemistry of Minerals (2005) 32, 426-435

a=6.9360Å b=6.9360Å c=10.1822Å

α=90° β=90° γ=120°

Cs₂O₉Si₃Zr

Xu, H.Navrotsky, A.Balmer, M. L.Su, Y.

Physics and Chemistry of Minerals (2005) 32, 426-435

a=7.2319Å b=7.2319Å c=10.2688Å

α=90° β=90° γ=120°