X-Ray Diffraction Table

X-Ray Diffraction Table

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Minerals Arranged by X-Ray Powder Diffraction

See Help on X-Ray Diffraction.

Powder X-ray Diffraction (XRD) is one of the primary techniques used by mineralogists and solid state chemists to examine the physico-chemical make-up of unknown materials. This data is represented in a collection of single-phase X-ray powder diffraction patterns for the three most intense D values in the form of tables of interplanar spacings (D), relative intensities (I/Io), mineral name and chemical formulae

The XRD technique takes a sample of the material and places a powdered sample in a holder, then the sample is illuminated with x-rays of a fixed wave-length and the intensity of the reflected radiation is recorded using a goniometer. This data is then analyzed for the reflection angle to calculate the inter-atomic spacing (D value in Angstrom units - 10-8 cm). The intensity(I) is measured to discriminate (using I ratios) the various D spacings and the results are compared to this table to identify possible matches. Note: 2 theta (Θ) angle calculated from the Bragg Equation, 2 Θ = 2(arcsin(n λ/(2d)) where n=1;

For more information about this technique, see X-Ray Analysis of a Solid or take an internet course at Birkbeck College On-line Courses.  Many thanks to Frederic Biret for these data.

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Listing of 577 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.0478 AND d1 < 3.1722)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.048(29.28) 100 2.573(34.84) 43 3.025(29.50) 43 Johannsenite CaMnSi2O6
3.048(29.28) 100 3.025(29.50) 43 2.573(34.84) 43 Johannsenite CaMnSi2O6
3.049(29.27) 100 3.762(23.63) 21 1.527(60.59) 15 Fersmite (Ca,Ce,Na)(Nb,Ta,Ti)2(O,OH,F)6
3.049(29.27) 100 5.418(16.35) 92 2.709(33.04) 89 Melonjosephite CaFe++Fe+++(PO4)2(OH)
3.049(29.27) 100 2.835(31.53) 84 8.220(10.75) 71 Altisite Na3K6Ti2Al2Si8O26Cl3
3.050(29.26) 100 2.164(41.70) 71 2.546(35.22) 63 Pasavaite Pd3Pb2Te2
3.050(29.26) 100 2.691(33.27) 71 5.861(15.10) 29 Arrojadite-(KNa) KNa4Ca(Fe,Mn,Mg)13Al(PO4)11(PO3OH)(OH,F)2
3.050(29.26) 100 4.480(19.80) 90 2.330(38.61) 50 Hydrophilite CaCl2
3.050(29.26) 100 4.260(20.83) 100 6.600(13.40) 90 Armstrongite CaZrSi6O15•3(H2O)
3.050(29.26) 100 3.640(24.43) 80 2.030(44.60) 60 Garrelsite-V Ba3NaSi2B7O16(OH)4
3.050(29.26) 100 3.430(25.96) 100 2.790(32.05) 70 Weilite CaHAsO4
3.050(29.26) 100 3.406(26.14) 100 4.000(22.21) 100 Calciouranoite (Ca,Ba,Pb)U2O7•5(H2O)
3.050(29.26) 100 3.240(27.51) 90 4.240(20.93) 80 Bruggenite Ca(IO3)2•(H2O)
3.050(29.26) 100 8.270(10.69) 90 2.687(33.32) 30 Ferroglaucophane [ ]Na2(Fe++3Al2)Si8O22(OH)2
3.050(29.26) 100 2.711(33.01) 40 1.642(55.95) 40 Ferripedrizite NaLi2(Fe+++2Mg2Li)Si8O22(OH)2
3.050(29.26) 100 1.866(48.76) 80 1.589(57.99) 80 Stannomicrolite (Sn++,Fe++,Mn++)(Ta,Nb,Sn++++)2(O,OH)7
3.050(29.26) 100 2.960(30.17) 100 3.940(22.55) 100 Catapleiite (Na,Ca,[ ])2ZrSi3O9•2(H2O)
3.050(29.26) 100 2.219(40.62) 80 2.093(43.19) 80 Paradocrasite Sb2(Sb,As)2
3.050(29.26) 100 4.000(22.21) 100 3.406(26.14) 100 Calciouranoite (Ca,Ba,Pb)U2O7•5(H2O)
3.050(29.26) 100 2.865(31.19) 80 3.860(23.02) 50 Grumiplucite HgBi2S4
3.050(29.26) 100 2.240(40.23) 90 2.090(43.25) 90 Kotulskite Pd(Te,Bi)
3.050(29.26) 100 3.240(27.51) 60 8.260(10.70) 55 Anthophyllite [ ]Mg7Si8O22(OH)2
3.050(29.26) 100 3.230(27.59) 90 3.130(28.49) 70 Emplectite CuBiS2
3.050(29.26) 100 3.220(27.68) 90 7.000(12.64) 70 Gutkovaite-Mn CaK2Mn(Ti,Nb)4(Si4O12)2(O,OH)4•5(H2O)
3.050(29.26) 100 1.589(57.99) 80 1.866(48.76) 80 Stannomicrolite (Sn++,Fe++,Mn++)(Ta,Nb,Sn++++)2(O,OH)7
3.050(29.26) 100 1.642(55.95) 40 2.711(33.01) 40 Ferripedrizite NaLi2(Fe+++2Mg2Li)Si8O22(OH)2
3.050(29.26) 100 1.862(48.87) 70 2.640(33.93) 50 Freibergite (Ag,Cu,Fe)12(Sb,As)4S13
3.050(29.26) 100 1.868(48.71) 90 1.593(57.83) 70 Giraudite (Cu,Zn,Ag)12(As,Sb)4(Se,S)13
3.050(29.26) 100 1.870(48.65) 50 2.640(33.93) 40 Germanocolusite Cu13V(Ge,As)3S16
3.050(29.26) 100 1.874(48.54) 90 1.597(57.68) 60 Putoranite Cu1.1Fe1.2S2
3.050(29.26) 100 2.080(43.47) 67 2.870(31.14) 66 Bobfergusonite Na2Mn++5Fe+++Al(PO4)6
3.050(29.26) 100 2.090(43.25) 90 2.240(40.23) 90 Kotulskite Pd(Te,Bi)
3.050(29.26) 100 2.720(32.90) 90 3.220(27.68) 70 Dickinsonite KNa4Ca(Mn++,Fe++)14Al(PO4)12(OH)2
3.050(29.26) 100 2.914(30.66) 80 2.865(31.19) 50 Grumiplucite HgBi2S4
3.050(29.26) 100 2.867(31.17) 61 2.568(34.91) 39 Bearthite Ca2Al(PO4)2(OH)
3.050(29.26) 100 2.800(31.94) 75 2.840(31.47) 70 Chursinite Hg+Hg++(AsO4)
3.050(29.26) 100 2.093(43.19) 80 2.219(40.62) 80 Paradocrasite Sb2(Sb,As)2
3.050(29.26) 100 2.140(42.19) 50 2.250(40.04) 30 Sylvanite (Au,Ag)2Te4
3.050(29.26) 100 2.700(33.15) 60 3.080(28.97) 40 Argyrodite Ag8GeS6
3.052(29.24) 100 1.817(50.17) 40 2.239(40.25) 35 Graulichite-(Ce) CeFe+++3(AsO4)2(OH)6
3.052(29.24) 100 4.195(21.16) 100 3.070(29.06) 100 Anthoinite AlWO3(OH)3
3.052(29.24) 100 3.636(24.46) 40 1.817(50.17) 35 Graulichite-(Ce) CeFe+++3(AsO4)2(OH)6
3.052(29.24) 100 3.070(29.06) 100 4.195(21.16) 100 Anthoinite AlWO3(OH)3
3.053(29.23) 100 5.250(16.87) 80 2.954(30.23) 70 Hanawaltite Hg+6Hg++[Cl,(OH)]2O3
3.053(29.23) 100 2.687(33.32) 20 3.561(24.98) 15 Mosandrite Na(Na,Ca)2(Ca,Ce,Y)4(Ti,Nb,Zr)(Si2O7)2(O,F)2F3
3.053(29.23) 100 1.869(48.68) 90 1.595(57.75) 30 Calvertite Cu5Ge0.5S4
3.054(29.22) 100 1.869(48.68) 70 1.593(57.83) 70 Cesplumtantite (Cs,Na,Ca)2(Pb,Sb+++,Sn)3Ta8O24
3.054(29.22) 100 1.899(47.86) 32 1.560(59.18) 32 Paraniite-(Y) Ca2Y(AsO4)(WO4)2
3.054(29.22) 100 2.842(31.45) 80 1.765(51.75) 80 Girdite Pb3H2(Te++++O3)(Te++++++O6)
3.054(29.22) 100 1.560(59.18) 32 1.899(47.86) 32 Paraniite-(Y) Ca2Y(AsO4)(WO4)2
3.054(29.22) 100 1.593(57.83) 70 1.869(48.68) 70 Cesplumtantite (Cs,Na,Ca)2(Pb,Sb+++,Sn)3Ta8O24
3.054(29.22) 100 1.765(51.75) 80 2.842(31.45) 80 Girdite Pb3H2(Te++++O3)(Te++++++O6)
3.054(29.22) 100 1.870(48.65) 70 1.595(57.75) 40 Germanite Cu26Fe4Ge4S32
3.055(29.21) 100 3.489(25.51) 90 6.270(14.11) 80 Xanthoxenite Ca4Fe+++2(PO4)4(OH)2•3(H2O)
3.055(29.21) 100 3.122(28.57) 80 3.288(27.10) 60 Andremeyerite BaFe(Fe++,Mn,Mg)Si2O7
3.056(29.20) 100 5.820(15.21) 90 4.680(18.95) 85 Yugawaralite CaAl2Si6O16•4(H2O)
3.056(29.20) 100 2.699(33.16) 60 2.749(32.54) 54 Sodic-ferripedrizite Na(LiNa)(Fe+++2Mg2Li)Si8O22(OH,F)2
3.056(29.20) 100 3.104(28.74) 70 3.286(27.11) 70 Bertossaite Li2CaAl4(PO4)4(OH)4
3.056(29.20) 100 3.286(27.11) 70 3.104(28.74) 70 Bertossaite Li2CaAl4(PO4)4(OH)4
3.056(29.20) 100 6.560(13.49) 77 6.910(12.80) 55 Blatonite UO2CO3•(H2O)
3.057(29.19) 100 2.021(44.81) 68 1.680(54.58) 60 IMA2008-024 (Ca,Na,REE,[ ])7(Nb,Ti)[Si2O7]2OF3
3.058(29.18) 100 2.815(31.76) 62 1.518(60.99) 55 Fersmanite Ca4(Na,Ca)4(Ti,Nb)4(Si2O7)2O8F3
3.058(29.18) 100 1.965(46.16) 100 3.240(27.51) 100 Fergusonite-beta-(Ce) (Ce,La,Nd)NbO4
3.058(29.18) 100 2.230(40.41) 80 2.639(33.94) 75 Norbergite Mg3(SiO4)(F,OH)2
3.058(29.18) 100 2.657(33.70) 70 3.032(29.43) 60 Samuelsonite (Ca,Ba)Ca8(Fe++,Mn)4Al2(PO4)10(OH)2
3.059(29.17) 100 1.876(48.48) 70 1.602(57.48) 50 Isocubanite CuFe2S3
3.060(29.16) 100 8.270(10.69) 80 3.270(27.25) 70 Gedrite [ ]Mg5Al2Si6Al2O22(OH)2
3.060(29.16) 100 2.740(32.65) 90 2.860(31.25) 75 Rengeite Sr4ZrTi4Si4O22
3.060(29.16) 100 3.630(24.50) 74 3.210(27.77) 54 Paderaite Cu7((Cu,Ag)0.33Pb1.33Bi11.33)13S22
3.060(29.16) 100 3.600(24.71) 100 3.090(28.87) 100 Ziesite Cu2V+++++2O7
3.060(29.16) 100 2.830(31.59) 100 2.700(33.15) 100 Saneroite Na2(Mn++,Fe+++)10Si11V+++++O34(OH)4
3.060(29.16) 100 6.159(14.37) 90 4.326(20.51) 80 Mccrillisite NaCs(Be,Li)Zr2(PO4)4•1-2(H2O)
3.060(29.16) 100 1.890(48.10) 50 1.870(48.65) 50 Briartite Cu2(Zn,Fe)GeS4
3.060(29.16) 100 2.950(30.27) 30 2.130(42.40) 30 Alforsite Ba5(PO4)3Cl
3.060(29.16) 100 2.910(30.70) 70 1.854(49.10) 70 Cervantite Sb+++Sb+++++O4
3.060(29.16) 100 3.590(24.78) 40 2.240(40.23) 40 Nevskite Bi(Se,S)
3.060(29.16) 100 2.115(42.72) 50 3.350(26.59) 40 Saddlebackite Pb2Bi2Te2S3
3.060(29.16) 100 5.980(14.80) 50 3.680(24.16) 30 Argentojarosite AgFe+++3(SO4)2(OH)6
3.060(29.16) 100 3.000(29.76) 90 2.740(32.65) 75 Rengeite Sr4ZrTi4Si4O22
3.060(29.16) 100 2.850(31.36) 75 3.260(27.33) 70 Brabantite CaTh(PO4)2
3.060(29.16) 100 2.840(31.47) 90 4.600(19.28) 30 Lengenbachite Pb6(Ag,Cu)2As4S13
3.060(29.16) 100 2.608(34.36) 90 5.440(16.28) 80 Canaphite CaNa2P2O7•4(H2O)
3.060(29.16) 100 2.240(40.23) 40 3.590(24.78) 40 Nevskite Bi(Se,S)
3.060(29.16) 100 2.165(41.68) 70 3.540(25.14) 30 Clausthalite PbSe
3.060(29.16) 100 2.130(42.40) 30 2.950(30.27) 30 Alforsite Ba5(PO4)3Cl
3.060(29.16) 100 1.870(48.65) 80 1.595(57.75) 60 Renierite (Cu,Zn)11(Ge,As)2Fe4S16
3.060(29.16) 100 1.870(48.65) 50 1.890(48.10) 50 Briartite Cu2(Zn,Fe)GeS4
3.060(29.16) 100 1.869(48.68) 80 1.595(57.75) 40 Argentotennantite (Ag,Cu)10(Zn,Fe)2(As,Sb)4S13
3.060(29.16) 100 3.010(29.65) 95 2.960(30.17) 65 Clinomimetite Pb5(AsO4)3Cl
3.060(29.16) 100 3.010(29.65) 95 2.960(30.17) 65 Mimetite Pb5(AsO4)3Cl
3.060(29.16) 100 4.980(17.80) 100 2.070(43.69) 90 Ursilite (Mg,Ca)4[(UO2)4(OH)5/(Si2O5)5.5]•13(H2O)
3.060(29.16) 100 4.870(18.20) 60 3.510(25.35) 55 Rowlandite-(Y) Y4Fe++Si4O14F2 (?)
3.060(29.16) 100 4.620(19.20) 90 2.480(36.19) 40 Pottsite PbBiH(VO4)2•2(H2O)
3.060(29.16) 100 4.280(20.74) 74 4.460(19.89) 65 Bernardite Tl(As,Sb)5S8
3.060(29.16) 100 3.710(23.97) 65 3.280(27.16) 55 Allactite Mn7(AsO4)2(OH)8
3.060(29.16) 100 3.530(25.21) 90 3.380(26.35) 80 Ganomalite Pb9Ca5Mn++Si9O33
3.060(29.16) 100 3.320(26.83) 100 2.730(32.78) 60 Tungstibite Sb2O3•WO3
3.060(29.16) 100 3.140(28.40) 21 2.959(30.18) 20 Senekevichite CsKNaCa2TiO[Si7O18(OH)]
3.060(29.16) 100 3.090(28.87) 100 3.600(24.71) 100 Ziesite Cu2V+++++2O7
3.060(29.16) 100 1.854(49.10) 70 2.910(30.70) 70 Cervantite Sb+++Sb+++++O4

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