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 540 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.03506 AND d1 < 3.15894)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.036(29.39) 100 1.757(52.00) 80 5.290(16.75) 70 Zajacite-(Ce) Na(REExCa1-x)(REEyCa1-y)F6 where (x ne y)
3.036(29.39) 100 3.015(29.60) 70 2.894(30.87) 60 Natron Na2CO3•10(H2O)
3.036(29.39) 100 3.343(26.64) 60 7.223(12.24) 50 Choloalite CuPb(Te++++O3)2
3.037(29.39) 100 3.076(29.00) 90 3.561(24.98) 90 Reedmergnerite NaBSi3O8
3.037(29.39) 100 3.561(24.98) 90 3.076(29.00) 90 Reedmergnerite NaBSi3O8
3.038(29.38) 100 4.835(18.33) 91 2.964(30.13) 91 Rynersonite Ca(Ta,Nb)2O6
3.038(29.38) 100 2.979(29.97) 75 2.543(35.26) 75 Jervisite (Na,Ca,Fe++)(Sc,Mg,Fe++)Si2O6
3.038(29.38) 100 5.850(15.13) 90 3.590(24.78) 40 Gallobeudantite PbGa3[(AsO4),(SO4)]2(OH)6
3.038(29.38) 100 2.543(35.26) 75 2.979(29.97) 75 Jervisite (Na,Ca,Fe++)(Sc,Mg,Fe++)Si2O6
3.038(29.38) 100 2.964(30.13) 91 4.835(18.33) 91 Rynersonite Ca(Ta,Nb)2O6
3.039(29.37) 100 2.564(34.97) 47 2.619(34.21) 40 Davisite Ca(Sc,Ti+++,Mg,Ti++++)AlSiO6
3.039(29.37) 100 5.320(16.65) 80 2.723(32.86) 60 Fianelite Mn++2V+++++(V+++++,As+++++)O7•2(H2O)
3.040(29.36) 100 1.870(48.65) 100 1.590(57.95) 50 Arsenosulvanite Cu3(As,V)S4
3.040(29.36) 100 2.820(31.70) 80 2.140(42.19) 80 Grayite (Th,Pb,Ca)PO4•(H2O)
3.040(29.36) 100 9.600(9.20) 100 1.710(53.55) 80 Sampleite NaCaCu5(PO4)4Cl•5(H2O)
3.040(29.36) 100 1.840(49.50) 100 1.587(58.07) 100 Cesstibtantite (Cs,Na)SbTa4O12
3.040(29.36) 100 2.850(31.36) 100 2.020(44.83) 100 Marianoite Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4
3.040(29.36) 100 4.360(20.35) 100 2.060(43.92) 100 Zemkorite (Na,K)2Ca(CO3)2
3.040(29.36) 100 4.290(20.69) 90 3.170(28.13) 80 Cornetite Cu3(PO4)(OH)3
3.040(29.36) 100 3.670(24.23) 100 2.458(36.53) 75 Peprossiite-(Ce) (Ce,La)(Al3O)2/3B4O10
3.040(29.36) 100 3.350(26.59) 89 5.410(16.37) 66 Studenitsite NaCa2[B9O14(OH)4]•2(H2O)
3.040(29.36) 100 2.096(43.12) 80 1.298(72.80) 70 Babkinite Pb2Bi2(S,Se)3
3.040(29.36) 100 3.172(28.11) 65 6.180(14.32) 50 Parabariomicrolite BaTa4O10(OH)2•2H20
3.040(29.36) 100 3.170(28.13) 100 3.290(27.08) 70 Sarkinite Mn++2(AsO4)(OH)
3.040(29.36) 100 2.924(30.55) 83 7.625(11.60) 78 Mrazekite Bi+++2Cu++3(PO4)2O2(OH)2•2(H2O)
3.040(29.36) 100 2.720(32.90) 80 3.680(24.16) 70 Quenselite PbMn+++O2(OH)
3.040(29.36) 100 2.140(42.19) 80 2.820(31.70) 80 Grayite (Th,Pb,Ca)PO4•(H2O)
3.040(29.36) 100 2.682(33.38) 90 2.713(32.99) 80 Collinsite Ca2(Mg,Fe++)(PO4)2•2(H2O)
3.040(29.36) 100 3.180(28.04) 70 2.976(3-) 50 Oboyerite Pb6H6(Te++++O3)3(Te++++++O6)2•2(H2O)
3.040(29.36) 100 2.060(43.92) 70 2.720(32.90) 60 Ericaite (Fe++,Mg,Mn)3B7O13Cl
3.041(29.35) 100 3.462(25.71) 66 3.086(28.91) 54 Newberyite Mg(PO3OH)•3(H2O)
3.042(29.34) 100 2.714(32.98) 85 3.222(27.66) 45 Arrojadite KNa4CaMn++4Fe++10Al(PO4)12(OH,F)2
3.043(29.33) 100 1.879(48.40) 90 1.598(57.64) 70 Talnakhite Cu9(Fe,Ni)8S16
3.044(29.32) 100 1.864(48.82) 38 2.637(33.97) 37 Avicennite Tl2O3
3.044(29.32) 100 3.470(25.65) 90 3.320(26.83) 70 Fransoletite H2Ca3Be2(PO4)4•4(H2O)
3.044(29.32) 100 6.090(14.53) 80 1.864(48.82) 70 Bariopyrochlore (Ba,Sr)(Nb,Ti)2(O,OH)7
3.045(29.31) 100 2.799(31.95) 100 3.093(28.84) 80 Clinokurchatovite Ca(Mg,Fe++,Mn)B2O5
3.045(29.31) 100 2.273(39.62) 52 6.830(12.95) 36 Yttrotungstite-(Ce) (Ce,Nd,Y)W2O6(OH)3
3.045(29.31) 100 3.285(27.12) 90 4.990(17.76) 50 Tavorite LiFe+++(PO4)(OH)
3.046(29.30) 100 2.160(41.78) 90 2.070(43.69) 90 Nyerereite Na2Ca(CO3)2
3.046(29.30) 100 2.160(41.78) 90 2.540(35.31) 90 Nyerereite Na2Ca(CO3)2
3.046(29.30) 100 2.070(43.69) 90 2.160(41.78) 90 Nyerereite Na2Ca(CO3)2
3.046(29.30) 100 1.855(49.07) 90 1.592(57.87) 70 Luzonite Cu3AsS4
3.048(29.28) 100 3.025(29.50) 43 2.573(34.84) 43 Johannsenite CaMnSi2O6
3.048(29.28) 100 2.573(34.84) 43 3.025(29.50) 43 Johannsenite CaMnSi2O6
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 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 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 8.270(10.69) 90 2.687(33.32) 30 Ferroglaucophane [ ]Na2(Fe++3Al2)Si8O22(OH)2
3.050(29.26) 100 2.865(31.19) 80 3.860(23.02) 50 Grumiplucite HgBi2S4
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 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 2.711(33.01) 40 1.642(55.95) 40 Ferripedrizite NaLi2(Fe+++2Mg2Li)Si8O22(OH)2
3.050(29.26) 100 2.240(40.23) 90 2.090(43.25) 90 Kotulskite Pd(Te,Bi)
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 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 2.720(32.90) 90 3.220(27.68) 70 Dickinsonite KNa4Ca(Mn++,Fe++)14Al(PO4)12(OH)2
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 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 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 2.914(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 3.406(26.14) 100 4.000(22.21) 100 Calciouranoite (Ca,Ba,Pb)U2O7•5(H2O)
3.050(29.26) 100 2.090(43.25) 90 2.240(40.23) 90 Kotulskite Pd(Te,Bi)
3.050(29.26) 100 2.080(43.47) 67 2.870(31.14) 66 Bobfergusonite Na2Mn++5Fe+++Al(PO4)6
3.050(29.26) 100 3.430(25.96) 100 2.790(32.05) 70 Weilite CaHAsO4
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 1.589(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 1.868(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 2.700(33.15) 60 3.080(28.97) 40 Argyrodite Ag8GeS6
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
3.052(29.24) 100 1.817(50.17) 40 2.239(40.25) 35 Graulichite-(Ce) CeFe+++3(AsO4)2(OH)6
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 1.869(48.68) 90 1.595(57.75) 30 Calvertite Cu5Ge0.5S4
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
3.054(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 1.899(47.86) 32 1.560(59.18) 32 Paraniite-(Y) Ca2Y(AsO4)(WO4)2
3.054(29.22) 100 1.870(48.65) 70 1.595(57.75) 40 Germanite Cu26Fe4Ge4S32
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 2.842(31.45) 80 1.765(51.75) 80 Girdite Pb3H2(Te++++O3)(Te++++++O6)
3.054(29.22) 100 1.765(51.75) 80 2.842(31.45) 80 Girdite Pb3H2(Te++++O3)(Te++++++O6)
3.055(29.21) 100 3.122(28.57) 80 3.288(27.10) 60 Andremeyerite BaFe(Fe++,Mn,Mg)Si2O7
3.055(29.21) 100 3.489(25.51) 90 6.270(14.11) 80 Xanthoxenite Ca4Fe+++2(PO4)4(OH)2•3(H2O)
3.056(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)

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