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 531 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.03212 AND d1 < 3.15588)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.034(29.41) 100 2.715(32.96) 80 2.585(34.67) 30 Xenophyllite Na4Fe7(PO4)6
3.035(29.40) 100 2.095(43.14) 18 2.285(39.40) 18 Calcite CaCO3
3.035(29.40) 100 2.285(39.40) 18 2.095(43.14) 18 Calcite CaCO3
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 3.561(24.98) 90 3.076(29.00) 90 Reedmergnerite NaBSi3O8
3.037(29.39) 100 3.076(29.00) 90 3.561(24.98) 90 Reedmergnerite NaBSi3O8
3.038(29.38) 100 2.964(30.13) 91 4.835(18.33) 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 4.835(18.33) 91 2.964(30.13) 91 Rynersonite Ca(Ta,Nb)2O6
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
3.039(29.37) 100 5.320(16.65) 80 2.723(32.86) 60 Fianelite Mn++2V+++++(V+++++,As+++++)O7•2(H2O)
3.039(29.37) 100 2.564(34.97) 47 2.619(34.21) 40 Davisite Ca(Sc,Ti+++,Mg,Ti++++)AlSiO6
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 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 1.840(49.50) 100 1.587(58.07) 100 Cesstibtantite (Cs,Na)SbTa4O12
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 9.600(9.20) 100 1.710(53.55) 80 Sampleite NaCaCu5(PO4)4Cl•5(H2O)
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 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 3.172(28.11) 65 6.180(14.32) 50 Parabariomicrolite BaTa4O10(OH)2•2H20
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 3.180(28.04) 70 2.976(3-) 50 Oboyerite Pb6H6(Te++++O3)3(Te++++++O6)2•2(H2O)
3.040(29.36) 100 2.682(33.38) 90 2.713(32.99) 80 Collinsite Ca2(Mg,Fe++)(PO4)2•2(H2O)
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 2.060(43.92) 70 2.720(32.90) 60 Ericaite (Fe++,Mg,Mn)3B7O13Cl
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 3.170(28.13) 100 3.290(27.08) 70 Sarkinite Mn++2(AsO4)(OH)
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 6.090(14.53) 80 1.864(48.82) 70 Bariopyrochlore (Ba,Sr)(Nb,Ti)2(O,OH)7
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 1.864(48.82) 38 2.637(33.97) 37 Avicennite Tl2O3
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 3.285(27.12) 90 4.990(17.76) 50 Tavorite LiFe+++(PO4)(OH)
3.045(29.31) 100 2.273(39.62) 52 6.830(12.95) 36 Yttrotungstite-(Ce) (Ce,Nd,Y)W2O6(OH)3
3.046(29.30) 100 2.160(41.78) 90 2.540(35.31) 90 Nyerereite Na2Ca(CO3)2
3.046(29.30) 100 2.160(41.78) 90 2.070(43.69) 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 2.835(31.53) 84 8.220(10.75) 71 Altisite Na3K6Ti2Al2Si8O26Cl3
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)
3.050(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 4.000(22.21) 100 3.406(26.14) 100 Calciouranoite (Ca,Ba,Pb)U2O7•5(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 4.480(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 3.430(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 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 2.720(32.90) 90 3.220(27.68) 70 Dickinsonite KNa4Ca(Mn++,Fe++)14Al(PO4)12(OH)2
3.050(29.26) 100 2.800(31.94) 75 2.840(31.47) 70 Chursinite Hg+Hg++(AsO4)
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 2.914(30.66) 80 2.865(31.19) 50 Grumiplucite HgBi2S4
3.050(29.26) 100 2.700(33.15) 60 3.080(28.97) 40 Argyrodite Ag8GeS6
3.050(29.26) 100 2.140(42.19) 50 2.250(40.04) 30 Sylvanite (Au,Ag)2Te4
3.050(29.26) 100 2.093(43.19) 80 2.219(40.62) 80 Paradocrasite Sb2(Sb,As)2
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 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 3.220(27.68) 90 7.000(12.64) 70 Gutkovaite-Mn CaK2Mn(Ti,Nb)4(Si4O12)2(O,OH)4•5(H2O)
3.052(29.24) 100 4.195(21.16) 100 3.070(29.06) 100 Anthoinite AlWO3(OH)3
3.052(29.24) 100 3.070(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
3.052(29.24) 100 3.636(24.46) 40 1.817(50.17) 35 Graulichite-(Ce) CeFe+++3(AsO4)2(OH)6
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
3.053(29.23) 100 5.250(16.87) 80 2.954(30.23) 70 Hanawaltite Hg+6Hg++[Cl,(OH)]2O3
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
3.054(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 1.869(48.68) 70 1.593(57.83) 70 Cesplumtantite (Cs,Na,Ca)2(Pb,Sb+++,Sn)3Ta8O24
3.055(29.21) 100 3.489(25.51) 90 6.270(14.11) 80 Xanthoxenite Ca4Fe+++2(PO4)4(OH)2•3(H2O)

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