Structures by: Fortes A. D.

Total: 54

CrH22MgO15

CrH22MgO15

Fortes, A DWood, I G

Powder Diffraction (2012) 27, 8-11

a=6.81133(8)Å   b=6.95839(9)Å   c=17.3850(2)Å

α=87.920(1)°   β=89.480(1)°   γ=62.772(1)°

(N D3) (D2 O)2

D7NO2

Fortes, A.D.Wood, I.G.Brodholt, J.P.Alfredsson, M.Knight, K.S.Vocadlo, L.McGrady, G.S.

Journal of Chemical Physics (2003) 119, 10806-10813

a=7.091771Å   b=7.091771Å   c=7.091771Å

α=90°   β=90°   γ=90°

Dimethyl sulfoxide dihydrate

C2D6OS,2(D2O)

Fortes, A. D.Ponsonby, J.Kirichek, O.García-Sakai, V.

Acta Crystallographica Section B (2020) 76, 5

a=6.30238(4)Å   b=9.05654(5)Å   c=11.22025(10)Å

α=90.0°   β=105.9688(5)°   γ=90.0°

Dimethyl sulfoxide trihydrate

C2D6OS,3(D2O)

Fortes, A. D.Ponsonby, J.Kirichek, O.García-Sakai, V.

Acta Crystallographica Section B (2020) 76, 5

a=10.266194(30)Å   b=7.011130(21)Å   c=10.068968(29)Å

α=90.0°   β=101.50300(20)°   γ=90.0°

Ammonium carbonate monohydrate

CO3,H2O,2(H4N)

Fortes, A. DominicWood, Ian G.Alfè, DarioHernández, Eduardo R.Gutmann, Matthias J.Sparkes, Hazel A.

Acta Crystallographica Section B (2014) 70, 6 948-962

a=12.056(3)Å   b=4.4519(11)Å   c=11.016(3)Å

α=90°   β=90°   γ=90°

Ammonium carbonate monohydrate

CO3,H2O,2(H4N)

Fortes, A. DominicWood, Ian G.Alfè, DarioHernández, Eduardo R.Gutmann, Matthias J.Sparkes, Hazel A.

Acta Crystallographica Section B (2014) 70, 6 948-962

a=12.047(3)Å   b=4.4525(11)Å   c=11.023(3)Å

α=90°   β=90°   γ=90°

Phenol hemihydrate

2(C6H6O),H2O

Fortes, A. Dominic

Acta Crystallographica Section E (2020) 76, 7 1062-1069

a=13.0747Å   b=10.9656Å   c=7.5822Å

α=90.0000°   β=90.0000°   γ=90.0000°

Phenol hemihydrate

2(C6H6O),H2O

Fortes, A. Dominic

Acta Crystallographica Section E (2020) 76, 7 1062-1069

a=13.1334Å   b=10.6781Å   c=7.6125Å

α=90.0000°   β=90.0000°   γ=90.0000°

Phenol hemihydrate

2(C6H6O),H2O

Fortes, A. Dominic

Acta Crystallographica Section E (2020) 76, 7 1062-1069

a=12.9747Å   b=10.5449Å   c=7.4800Å

α=90.0000°   β=90.0000°   γ=90.0000°

Sodium molybdate

MoNa2O4

Fortes, A. Dominic

Acta Crystallographica Section E (2015) 71, 6 592-596

a=9.10888(3)Å   b=9.108879Å   c=9.108879Å

α=90.0°   β=90.0°   γ=90.0°

Sodium tungstate

Na2O4W

Fortes, A. Dominic

Acta Crystallographica Section E (2015) 71, 6 592-596

a=9.12974(4)Å   b=9.12974Å   c=9.12974Å

α=90.0°   β=90.0°   γ=90.0°

Glycine zinc sulfate pentahydrate

C4H18N2O8Zn,H12O6Zn,2(O4S)

Fortes, A. DominicHoward, Christopher M.Wood, Ian G.Gutmann, Matthias J.

Acta Crystallographica Section E (2016) 72, 10 1438-1445

a=5.9601(15)Å   b=6.7670(17)Å   c=13.112(4)Å

α=84.955(18)°   β=83.25(2)°   γ=83.042(19)°

Sodium molybdate dihydrate

MoO4,2(D2O),2(Na)

Fortes, A. Dominic

Acta Crystallographica Section E (2015) 71, 7 799-806

a=8.482961(14)Å   b=10.566170(17)Å   c=13.83195(3)Å

α=90.0°   β=90.0°   γ=90.0°

Sodium tungstate dihydrate

WO4,2(D2O),2(Na)

Fortes, A. Dominic

Acta Crystallographica Section E (2015) 71, 7 799-806

a=8.482514(15)Å   b=10.595156(19)Å   c=13.85640(3)Å

α=90.0°   β=90.0°   γ=90.0°

?

Fe

Wood, Ian G.Vočadlo, LidunkaDobson, David P.Price, G. DavidFortes, A. D.Cooper, Frances J.Neale, J. W.Walker, Andrew M.Marshall, W. G.Tucker, M. G.Francis, D. J.Stone, H. J.McCammon, C. A.

Journal of Applied Crystallography (2008) 41, 5 886-896

a=2.8403(3)Å   b=2.84034Å   c=2.84034Å

α=90.0°   β=90.0°   γ=90.0°

?

Fe

Wood, Ian G.Vočadlo, LidunkaDobson, David P.Price, G. DavidFortes, A. D.Cooper, Frances J.Neale, J. W.Walker, Andrew M.Marshall, W. G.Tucker, M. G.Francis, D. J.Stone, H. J.McCammon, C. A.

Journal of Applied Crystallography (2008) 41, 5 886-896

a=2.8274(4)Å   b=2.8274Å   c=2.8274Å

α=90.0°   β=90.0°   γ=90.0°

?

O2Zr

Wood, Ian G.Vočadlo, LidunkaDobson, David P.Price, G. DavidFortes, A. D.Cooper, Frances J.Neale, J. W.Walker, Andrew M.Marshall, W. G.Tucker, M. G.Francis, D. J.Stone, H. J.McCammon, C. A.

Journal of Applied Crystallography (2008) 41, 5 886-896

a=5.213(5)Å   b=4.967(6)Å   c=5.318(5)Å

α=90.0°   β=100.16(9)°   γ=90.0°

?

D2O

Fortes, A. D.Wood, I. G.Vočadlo, L.Knight, K. S.Marshall, W. G.Tucker, M. G.Fernandez-Alonso, F.

Journal of Applied Crystallography (2009) 42, 5 846-866

a=12.87078(12)Å   b=12.87078Å   c=6.18270(10)Å

α=90.0°   β=90.0°   γ=120.0°

?

Al

Fortes, A. D.Wood, I. G.Vočadlo, L.Knight, K. S.Marshall, W. G.Tucker, M. G.Fernandez-Alonso, F.

Journal of Applied Crystallography (2009) 42, 5 846-866

a=4.03702(12)Å   b=4.03702Å   c=4.03702Å

α=90.0°   β=90.0°   γ=90.0°

?

D2O

Fortes, A. D.Wood, I. G.Vočadlo, L.Knight, K. S.Marshall, W. G.Tucker, M. G.Fernandez-Alonso, F.

Journal of Applied Crystallography (2009) 42, 5 846-866

a=6.6748(3)Å   b=6.67484Å   c=6.6838(6)Å

α=90.0°   β=90.0°   γ=90.0°

?

D2O

Fortes, A. D.Wood, I. G.Vočadlo, L.Knight, K. S.Marshall, W. G.Tucker, M. G.Fernandez-Alonso, F.

Journal of Applied Crystallography (2009) 42, 5 846-866

a=12.8396(10)Å   b=12.8396Å   c=6.1628(7)Å

α=90.0°   β=90.0°   γ=120.0°

?

D10O5

Fortes, A. D.Wood, I. G.Vočadlo, L.Knight, K. S.Marshall, W. G.Tucker, M. G.Fernandez-Alonso, F.

Journal of Applied Crystallography (2009) 42, 5 846-866

a=6.1860(8)Å   b=6.186Å   c=5.7157(16)Å

α=90.0°   β=90.0°   γ=90.0°

?

D

Fortes, A. D.Wood, I. G.Vočadlo, L.Knight, K. S.Marshall, W. G.Tucker, M. G.Fernandez-Alonso, F.

Journal of Applied Crystallography (2009) 42, 5 846-866

a=7.78366(9)Å   b=6.72568(7)Å   c=6.07443(8)Å

α=90.0°   β=102.1043(10)°   γ=90.0°

?

CW

Fortes, A. D.Wood, I. G.Vočadlo, L.Knight, K. S.Marshall, W. G.Tucker, M. G.Fernandez-Alonso, F.

Journal of Applied Crystallography (2009) 42, 5 846-866

a=2.9016(3)Å   b=2.90156Å   c=2.83867(12)Å

α=90.0°   β=90.0°   γ=120.0°

?

D

Fortes, A. D.Wood, I. G.Vočadlo, L.Knight, K. S.Marshall, W. G.Tucker, M. G.Fernandez-Alonso, F.

Journal of Applied Crystallography (2009) 42, 5 846-866

a=18.8679(2)Å   b=6.94772(9)Å   c=6.85885(10)Å

α=90.0°   β=90.0°   γ=90.0°

?

D

Fortes, A. D.Wood, I. G.Vočadlo, L.Knight, K. S.Marshall, W. G.Tucker, M. G.Fernandez-Alonso, F.

Journal of Applied Crystallography (2009) 42, 5 846-866

a=12.5626(11)Å   b=6.6513(3)Å   c=6.3788(3)Å

α=90.0°   β=90.0°   γ=90.0°

?

D

Fortes, A. D.Wood, I. G.Vočadlo, L.Knight, K. S.Marshall, W. G.Tucker, M. G.Fernandez-Alonso, F.

Journal of Applied Crystallography (2009) 42, 5 846-866

a=8.15Å   b=8.15Å   c=4.0Å

α=90.0°   β=90.0°   γ=90.0°

?

Pb

Fortes, A. D.Wood, I. G.Vočadlo, L.Knight, K. S.Marshall, W. G.Tucker, M. G.Fernandez-Alonso, F.

Journal of Applied Crystallography (2009) 42, 5 846-866

a=4.9108(2)Å   b=4.91075Å   c=4.91075Å

α=90.0°   β=90.0°   γ=90.0°

Methanol mono-ammoniate

CD3OD.ND3

Fortes, A. D.Wood, I. G.Knight, K. S.

Journal of Applied Crystallography (2009) 42, 6 1054-1061

a=11.02320(7)Å   b=7.66076(6)Å   c=7.59127(6)Å

α=90.0°   β=90.0°   γ=90.0°

Methanol mono-ammoniate

CD3OD.ND3

Fortes, A. D.Wood, I. G.Knight, K. S.

Journal of Applied Crystallography (2009) 42, 6 1054-1061

a=11.21169(5)Å   b=7.74663(4)Å   c=7.68077(5)Å

α=90.0°   β=90.0°   γ=90.0°

?

CD7NO

Fortes, A. D.Wood, I. G.Knight, K. S.

Journal of Applied Crystallography (2010) 43, 2 328-336

a=11.0386(4)Å   b=7.65471(34)Å   c=7.58467(33)Å

α=90.0°   β=90.0°   γ=90.0°

?

C2D11NO2

Fortes, A. D.Wood, I. G.Knight, K. S.

Journal of Applied Crystallography (2010) 43, 2 328-336

a=12.70615(16)Å   b=8.84589(9)Å   c=4.73876(4)Å

α=90.0°   β=90.0°   γ=90.0°

?

CD7NO

Fortes, A. D.Wood, I. G.Knight, K. S.

Journal of Applied Crystallography (2010) 43, 2 328-336

a=11.20962(25)Å   b=7.74564(24)Å   c=7.67810(22)Å

α=90.0°   β=90.0°   γ=90.0°

?

Fe0.3Mg0.7O

Wood, Ian G.Vočadlo, LidunkaDobson, David P.Price, G. DavidFortes, A. D.Cooper, Frances J.Neale, J. W.Walker, Andrew M.Marshall, W. G.Tucker, M. G.Francis, D. J.Stone, H. J.McCammon, C. A.

Journal of Applied Crystallography (2008) 41, 5 886-896

a=4.1896(2)Å   b=4.18955Å   c=4.18955Å

α=90.0°   β=90.0°   γ=90.0°

?

C2D11NO2

Fortes, A. D.Wood, I. G.Knight, K. S.

Journal of Applied Crystallography (2010) 43, 2 328-336

a=12.90413(16)Å   b=8.96975(8)Å   c=4.79198(4)Å

α=90.0°   β=90.0°   γ=90.0°

Magnesium sulfate

SO42,MgO62

Fortes, A. D.Wood, I. G.Vočadlo, L.Brand, H. E. A.Knight, K. S.

Journal of Applied Crystallography (2007) 40, 4 761-770

a=5.174713(29)Å   b=7.87563(5)Å   c=6.49517(5)Å

α=90.0°   β=90.0°   γ=90.0°

Magnesium sulfate

SO42,MgO62

Fortes, A. D.Wood, I. G.Vočadlo, L.Brand, H. E. A.Knight, K. S.

Journal of Applied Crystallography (2007) 40, 4 761-770

a=5.168629(33)Å   b=7.86781(5)Å   c=6.46674(5)Å

α=90.0°   β=90.0°   γ=90.0°

Magnesium sulfate

SO42,MgO62

Fortes, A. D.Wood, I. G.Vočadlo, L.Brand, H. E. A.Knight, K. S.

Journal of Applied Crystallography (2007) 40, 4 761-770

a=4.73431(8)Å   b=8.58171(12)Å   c=6.67266(11)Å

α=90.0°   β=90.0°   γ=90.0°

Magnesium sulfate

SO42,MgO62

Fortes, A. D.Wood, I. G.Vočadlo, L.Brand, H. E. A.Knight, K. S.

Journal of Applied Crystallography (2007) 40, 4 761-770

a=4.74599(7)Å   b=8.58310(10)Å   c=6.70934(10)Å

α=90.0°   β=90.0°   γ=90.0°

?

Fe0.2Mg0.8O

Wood, Ian G.Vočadlo, LidunkaDobson, David P.Price, G. DavidFortes, A. D.Cooper, Frances J.Neale, J. W.Walker, Andrew M.Marshall, W. G.Tucker, M. G.Francis, D. J.Stone, H. J.McCammon, C. A.

Journal of Applied Crystallography (2008) 41, 5 886-896

a=4.19971(13)Å   b=4.19971Å   c=4.19971Å

α=90.0°   β=90.0°   γ=90.0°

Magnesium selenate enneahydrate

H12MgO6,O4Se,3(H2O)

Fortes, A. DominicAlfè, DarioHernández, Eduardo RGutmann, Matthias J.

Acta crystallographica Section B, Structural science, crystal engineering and materials (2015) 71, Pt 3 313-327

a=7.2223(19)Å   b=10.483(3)Å   c=17.327(4)Å

α=90°   β=109.573(17)°   γ=90°

Magnesium selenate enneahydrate

H12MgO6,O4Se,3(H2O)

Fortes, A. DominicAlfè, DarioHernández, Eduardo RGutmann, Matthias J.

Acta crystallographica Section B, Structural science, crystal engineering and materials (2015) 71, Pt 3 313-327

a=7.2389(19)Å   b=10.497(3)Å   c=17.349(4)Å

α=90°   β=109.522(18)°   γ=90°

Magnesium selenate enneahydrate

H12MgO6,O4Se,3(H2O)

Fortes, A. DominicAlfè, DarioHernández, Eduardo RGutmann, Matthias J.

Acta crystallographica Section B, Structural science, crystal engineering and materials (2015) 71, Pt 3 313-327

a=7.2264(19)Å   b=10.487(3)Å   c=17.330(4)Å

α=90°   β=109.579(17)°   γ=90°

Magnesium selenate enneahydrate

H12MgO6,O4Se,3(H2O)

Fortes, A. DominicAlfè, DarioHernández, Eduardo RGutmann, Matthias J.

Acta crystallographica Section B, Structural science, crystal engineering and materials (2015) 71, Pt 3 313-327

a=7.2604(18)Å   b=10.502(3)Å   c=17.388(4)Å

α=90°   β=109.423(17)°   γ=90°

Magnesium sulfate undecahydrate

MgO6H122,SO42,O5H10

Fortes, A. DominicWood, Ian G.Gutmann, Matthias J.

Acta Crystallographica Section C (2013) 69, 4 324-329

a=6.7283(13)Å   b=6.7839(14)Å   c=17.332(4)Å

α=88.181(13)°   β=89.349(14)°   γ=62.515(12)°

Magnesium chromate undecahydrate

MgO6H122,CrO42,O5H10

Fortes, A. DominicWood, Ian G.Gutmann, Matthias J.

Acta Crystallographica Section C (2013) 69, 4 324-329

a=6.7721(18)Å   b=6.917(2)Å   c=17.410(5)Å

α=88.21(2)°   β=89.43(2)°   γ=62.768(18)°

Magnesium selenate heptahydrate

H12MgO62,O4Se2,H2O

Fortes, A. DominicGutmann, Matthias J.

Acta Crystallographica Section E (2014) 70, 9 134-137

a=12.234(4)Å   b=12.020(4)Å   c=6.809(3)Å

α=90°   β=90°   γ=90°

Copper

Cu

Fortes, A. DominicSuard, EmmanuelleLemée-Cailleau, Marie-HélènePickard, Christopher J.Needs, Richard J.

Journal of the American Chemical Society (2009) 131, 37 13508-13515

a=3.58191(23)Å   b=3.58191Å   c=3.58191Å

α=90.0°   β=90.0°   γ=90.0°

Ammonia monohydrate

D5NO

Fortes, A. DominicSuard, EmmanuelleLemée-Cailleau, Marie-HélènePickard, Christopher J.Needs, Richard J.

Journal of the American Chemical Society (2009) 131, 37 13508-13515

a=18.8285(4)Å   b=6.94145(16)Å   c=6.84492(16)Å

α=90.0°   β=90.0°   γ=90.0°

Meridianiite (deuterated)

D22MgO15S

Fortes, A. D.Wood, I. G.Knight, K. S.

Physics and Chemistry of Minerals (2008) 35, 207-221

a=6.7508Å   b=6.8146Å   c=17.2924Å

α=88.118°   β=89.481°   γ=62.6891°

Meridianiite (deuterated)

D22MgO15S

Fortes, A. D.Wood, I. G.Knight, K. S.

Physics and Chemistry of Minerals (2008) 35, 207-221

a=6.7275Å   b=6.7814Å   c=17.3180Å

α=88.206°   β=89.447°   γ=62.608°

Ice

H2O

Fortes, A. D.Wood, I. G.Grigoriev, D.Alfredsson, M.Kipfstuhl, S.Knight, K. S.Smith, R. I.

Journal of Chemical Physics (2004) 120, 11376-11379

a=4.497479Å   b=4.497479Å   c=7.322382Å

α=90°   β=90°   γ=120°

Ice

H2O

Fortes, A. D.Wood, I. G.Grigoriev, D.Alfredsson, M.Kipfstuhl, S.Knight, K. S.Smith, R. I.

Journal of Chemical Physics (2004) 120, 11376-11379

a=4.497479Å   b=4.497479Å   c=7.322382Å

α=90°   β=90°   γ=120°

Epsomite (deuterated)

D14MgO11S

Fortes, A. D.Wood, I. G.Alfredsson, M.Vocadlo, L.Knight, K. S.

European Journal of Mineralogy (2006) 18, 449-462

a=11.897133Å   b=11.90851Å   c=6.78729Å

α=90°   β=90°   γ=90°