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 618 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.964794 AND d1 < 3.085806)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.965(30.12) 100 2.577(34.78) 90 2.043(44.30) 80 Uvite (Ca,Na)(Mg,Fe++)3Al5Mg(BO3)3Si6O18(OH,F)4
2.965(30.12) 100 5.704(15.52) 65 2.209(40.82) 45 Goyazite SrAl3(PO4)2(OH)5•(H2O)
2.966(30.10) 100 2.525(35.52) 90 2.348(38.30) 70 Tiptopite K2(Na,Ca)2Li3Be6(PO4)6(OH)2•(H2O)
2.966(30.10) 100 2.700(33.15) 90 3.527(25.23) 90 Esperanzaite NaCa2Al2(As+++++O4)2F4(OH)•2(H2O)
2.966(30.10) 100 5.940(14.90) 100 3.100(28.77) 90 Ferritungstite (K,Ca,Na)(W++++++,Fe+++)2(O,OH)6•(H2O)
2.966(30.10) 100 11.299(7.82) 95 2.847(31.40) 81 Johnsenite-(Ce) Na12(Ce,REE,Sr)3Ca6Mn3Zr3W(Si25O73)(CO3)(OH,Cl)2
2.966(30.10) 100 2.847(31.40) 95 9.452(9.35) 81 Johnsenite-(Ce) Na12(Ce,REE,Sr)3Ca6Mn3Zr3W(Si25O73)(CO3)(OH,Cl)2
2.966(30.10) 100 3.527(25.23) 90 2.700(33.15) 90 Esperanzaite NaCa2Al2(As+++++O4)2F4(OH)•2(H2O)
2.967(30.09) 100 1.848(49.27) 90 1.569(58.80) 90 Bismutopyrochlore (Bi,U,Ca,Pb)1+x(Nb,Ta)2O6(OH)•n(H2O)
2.967(30.09) 100 15.667(5.64) 87 2.610(34.33) 56 Gatelite-(Ce) (Ca,Ce,La,Nd)4(Al,Mg,Fe)4[Si2O7][SiO4]3(O,F,OH)3
2.967(30.09) 100 2.834(31.54) 80 2.408(37.31) 65 Montroydite HgO
2.967(30.09) 100 2.625(34.13) 90 5.340(16.59) 80 Tatarskite Ca6Mg2(SO4)2(CO3)2Cl4(OH)4•7(H2O)
2.967(30.09) 100 1.569(58.80) 90 1.848(49.27) 90 Bismutopyrochlore (Bi,U,Ca,Pb)1+x(Nb,Ta)2O6(OH)•n(H2O)
2.968(30.08) 100 2.847(31.40) 98 3.391(26.26) 51 Ferrokentbrooksite Na15Ca6(Fe,Mn)3Zr3NbSi25O73(O,OH,H2O)3(Cl,F,OH)2
2.968(30.08) 100 3.144(28.36) 77 3.028(29.47) 45 Proshchenkoite-(Y) (Y,REE,Ca,Na,Mn)15Fe++Ca(P,Si)Si6B3(O,F)48
2.968(30.08) 100 3.164(28.18) 90 4.672(18.98) 70 Montebrasite LiAl(PO4)(OH,F)
2.969(30.07) 100 2.895(30.86) 100 2.755(32.47) 70 Scandiobabingtonite Ca2(Fe++,Mn)ScSi5O14(OH)
2.969(30.07) 100 1.863(48.85) 80 2.867(31.17) 60 Kuannersuite-(Ce) Ba6Na2REE2(PO4)6FCl
2.969(30.07) 100 2.782(32.15) 60 2.587(34.65) 60 Yeatmanite Mn++9Zn6Sb+++++2Si4O28
2.969(30.07) 100 1.965(46.16) 80 1.863(48.85) 60 Kuannersuite-(Ce) Ba6Na2REE2(PO4)6FCl
2.969(30.07) 100 2.587(34.65) 60 2.782(32.15) 60 Yeatmanite Mn++9Zn6Sb+++++2Si4O28
2.969(30.07) 100 3.429(25.96) 84 2.099(43.06) 57 Galena PbS
2.970(30.06) 100 7.850(11.26) 90 3.870(22.96) 80 Yavapaiite KFe+++(SO4)2
2.970(30.06) 100 1.550(59.60) 60 3.640(24.43) 30 Goldfieldite Cu12(Te,Sb,As)4S13
2.970(30.06) 100 1.540(60.02) 70 3.580(24.85) 60 Kolicite Mn7Zn4(AsO4)2(SiO4)2(OH)8
2.970(30.06) 100 1.820(50.08) 60 1.550(59.60) 30 Goldfieldite Cu12(Te,Sb,As)4S13
2.970(30.06) 100 1.820(50.08) 50 1.550(59.60) 40 Zirconolite-3O (Ca,Fe,Y,Th)2Fe(Ti,Nb)3Zr2O7
2.970(30.06) 100 2.003(45.23) 100 1.778(51.35) 80 Michenerite (Pd,Pt)BiTe
2.970(30.06) 100 3.330(26.75) 100 3.140(28.40) 100 Magniotriplite (Mg,Fe++,Mn)2(PO4)F
2.970(30.06) 100 3.830(23.20) 80 3.520(25.28) 80 Wollastonite-2M CaSiO3
2.970(30.06) 100 2.870(31.14) 70 1.830(49.79) 70 Seidozerite (Na,Ca)2(Zr,Ti,Mn)2Si2O7(O,F)2
2.970(30.06) 100 5.730(15.45) 80 3.510(25.35) 60 Plumbogummite PbAl3(PO4)2(OH)5•(H2O)
2.970(30.06) 100 5.420(16.34) 80 5.890(15.03) 60 Demesmaekerite Pb2Cu5(UO2)2(SeO3)6(OH)6•2(H2O)
2.970(30.06) 100 4.910(18.05) 75 2.231(40.40) 51 Huangite Ca0.5Al3(SO4)2(OH)6
2.970(30.06) 100 3.140(28.40) 100 3.330(26.75) 100 Magniotriplite (Mg,Fe++,Mn)2(PO4)F
2.970(30.06) 100 3.060(29.16) 90 1.600(57.56) 80 Natroniobite NaNbO3
2.970(30.06) 100 3.011(29.64) 80 3.375(26.39) 60 Rankamaite (Na,K,Pb,Li)3(Ta,Nb,Al)11(O,OH)30
2.970(30.06) 100 2.939(30.39) 95 2.926(30.53) 50 Okanoganite-(Y) (Na,Ca)3(Y,Ce)12Si6B2O27F14
2.970(30.06) 100 2.600(34.47) 90 3.080(28.97) 25 Nahcolite NaHCO3
2.970(30.06) 100 2.530(35.45) 50 2.560(35.02) 30 Hedenbergite CaFe++Si2O6
2.970(30.06) 100 2.180(41.38) 45 5.750(15.40) 35 Crandallite CaAl3(PO4)2(OH)5•(H2O)
2.970(30.06) 100 2.094(43.17) 90 2.112(42.78) 80 Sorosite Cu(Sn,Sb)
2.970(30.06) 100 1.830(49.79) 70 2.870(31.14) 70 Seidozerite (Na,Ca)2(Zr,Ti,Mn)2Si2O7(O,F)2
2.970(30.06) 100 3.520(25.28) 80 3.830(23.20) 80 Wollastonite-2M CaSiO3
2.970(30.06) 100 4.316(20.56) 85 2.848(31.38) 84 Voronkovite Na15(Na,Ca,Ce)3(Mn,Ca)3Fe3Zr3Si26O72(OH,O)4Cl•H2O
2.970(30.06) 100 4.160(21.34) 50 2.493(36.00) 40 Ferrowodginite Fe++SnTa2O8
2.971(30.05) 100 2.558(35.05) 80 2.515(35.67) 80 Dorrite Ca2Mg2Fe+++4(Al,Fe+++)4Si2O20
2.971(30.05) 100 2.809(31.83) 85 2.857(31.28) 58 Stanekite Fe+++(Mn,Fe++,Mg)(PO4)O
2.971(30.05) 100 3.070(29.06) 25 3.664(24.27) 21 Samarskite-(Yb) (Yb,Y,REE,U,Th,Ca,Fe++) (Nb,Ta,Ti)O4
2.971(30.05) 100 2.515(35.67) 80 2.558(35.05) 80 Dorrite Ca2Mg2Fe+++4(Al,Fe+++)4Si2O20
2.971(30.05) 100 3.651(24.36) 9 3.583(24.83) 9 Weissbergite TlSbS2
2.971(30.05) 100 3.583(24.83) 9 3.651(24.36) 9 Weissbergite TlSbS2
2.971(30.05) 100 2.495(35.97) 75 3.497(25.45) 40 Sicklerite Li(Mn++,Fe+++)PO4
2.971(30.05) 100 1.550(59.60) 80 1.819(50.11) 70 Ingersonite Ca3Mn++Sb+++++4O14
2.972(30.04) 100 3.295(27.04) 98 2.731(32.77) 63 Celestine SrSO4
2.972(30.04) 100 11.890(7.43) 54 1.831(49.76) 50 Cupropearceite [Cu6As2S7][Ag9CuS4]
2.972(30.04) 100 2.947(30.30) 76 2.924(30.55) 66 Hundholmenite-(Y) (Y,REE,Ca,Na)15(Al,Fe+++)CaxAs+++1-x(Si,As+++++)Si6B3(O,F)48
2.973(30.03) 100 1.820(50.08) 53 1.552(59.51) 45 Calciobetafite Ca2(Ti,Nb)2(O,OH)7
2.973(30.03) 100 4.650(19.07) 97 7.941(11.13) 66 Heulandite-Ba (Ba,Ca,K,Na,Sr)5Al9Si27O72•22(H2O)
2.973(30.03) 100 3.978(22.33) 97 4.650(19.07) 66 Heulandite-Ba (Ba,Ca,K,Na,Sr)5Al9Si27O72•22(H2O)
2.974(30.02) 100 3.030(29.45) 100 4.821(18.39) 90 Vigezzite (Ca,Ce)(Nb,Ta,Ti)2O6
2.975(30.01) 100 3.990(22.26) 30 2.752(32.51) 30 Philolithite Pb12O6Mn(Mg,Mn)2(Mn,Mg)4(SO4)(CO3)4Cl4(OH)12
2.975(30.01) 100 2.752(32.51) 30 3.990(22.26) 30 Philolithite Pb12O6Mn(Mg,Mn)2(Mn,Mg)4(SO4)(CO3)4Cl4(OH)12
2.975(30.01) 100 3.024(29.51) 80 3.106(28.72) 35 Aeschynite-(Ce) (Ce,Ca,Fe)(Ti,Nb)2(O,OH)6
2.975(30.01) 100 3.177(28.06) 80 1.837(49.58) 70 Muckeite CuNiBiS3
2.976(3-) 100 2.966(30.10) 95 3.644(24.41) 46 Titanowodginite (Mn++,Fe++)(Ti,Sn)(Ta,Nb)2O8
2.976(3-) 100 2.929(30.49) 100 3.573(24.90) 90 Watkinsonite PbCu2Bi4(Se,S)8
2.976(3-) 100 2.966(30.10) 95 3.644(24.41) 46 IMA2000-026 (Mn,Li)4(Ta,Sn)4(Ta,Nb)8O32
2.977(29.99) 100 2.853(31.33) 88 4.324(20.52) 68 Labyrinthite (Na,K,Sr)35Ca12Fe3Zr6TiSi51O144(O,OH,H2O)9Cl3
2.977(29.99) 100 3.675(24.20) 40 1.726(53.01) 16 Columbite-(Fe) Fe++Nb2O6
2.978(29.98) 100 3.663(24.28) 70 2.339(38.46) 65 Marumoite Pb32As40S92
2.979(29.97) 100 3.380(26.35) 100 6.430(13.76) 50 Phoenicochroite Pb2(CrO4)O
2.980(29.96) 100 1.836(49.61) 80 1.563(59.05) 80 Microlite (Na,Ca)2Ta2O6(O,OH,F)
2.980(29.96) 100 2.880(31.03) 100 3.310(26.91) 100 Fornacite Pb2Cu(CrO4)(AsO4)(OH)
2.980(29.96) 100 1.930(47.04) 100 3.270(27.25) 100 Juanite Ca10Mg4Al2Si11O39•4(H2O) (?)
2.980(29.96) 100 2.860(31.25) 100 3.430(25.96) 90 Taseqite Na12Sr3Ca6Fe3Zr3NbSi25O73(O,OH,H2O)3Cl2
2.980(29.96) 100 2.550(35.16) 100 1.955(46.41) 90 Balkanite Cu9Ag5HgS8
2.980(29.96) 100 2.220(40.60) 100 5.740(15.42) 90 Svanbergite SrAl3(PO4)(SO4)(OH)6
2.980(29.96) 100 2.920(30.59) 100 3.490(25.50) 100 Tvalchrelidzeite Hg3SbAsS3
2.980(29.96) 100 1.763(51.81) 100 2.459(36.51) 90 Konderite PbCu3(Rh,Pt,Ir)8S16
2.980(29.96) 100 3.740(23.77) 80 3.690(24.10) 80 Koragoite (Mn++,Fe+++)3(Nb,Ta,Ti)2(Nb,Mn)2(W,Ta)2O20
2.980(29.96) 100 2.770(32.29) 80 1.642(55.95) 70 Lorettoite Pb7O6Cl2
2.980(29.96) 100 2.283(39.44) 80 1.909(47.59) 70 Walthierite Ba0.5Al3(SO4)2(OH)6
2.980(29.96) 100 2.265(39.76) 87 4.530(19.58) 86 Adranosite (NH4)4NaAl2(SO4)4Cl(OH)2
2.980(29.96) 100 1.820(50.08) 50 1.750(52.23) 30 Zirconolite-3T CaZrTi2O7
2.980(29.96) 100 1.820(50.08) 50 2.530(35.45) 30 Zirkelite (Ca,Th,Ce)Zr(Ti,Nb)2O7
2.980(29.96) 100 1.746(52.36) 77 2.469(36.36) 55 Greigite Fe++Fe+++2S4
2.980(29.96) 100 1.563(59.05) 80 1.836(49.61) 80 Microlite (Na,Ca)2Ta2O6(O,OH,F)
2.980(29.96) 100 1.400(66.76) 80 2.130(42.40) 70 Omphacite (Ca,Na)(Mg,Fe++,Al)Si2O6
2.980(29.96) 100 2.920(30.59) 90 3.130(28.49) 40 Samarskite-(Y) (Y,Fe+++,U)(Nb,Ta)5O4
2.980(29.96) 100 3.190(27.95) 90 2.150(41.99) 70 Jarlite Na(Sr,Na,[ ])7(Mg,[ ])Al6F32(OH,H2O)2
2.980(29.96) 100 3.620(24.57) 80 3.490(25.50) 60 Christite TlHgAsS3
2.980(29.96) 100 2.670(33.54) 100 2.520(35.60) 100 Hydrohalite NaCl•2(H2O)
2.980(29.96) 100 11.500(7.68) 90 2.856(31.29) 80 Manganokhomyakovite Na12Sr3Ca6Mn3Zr3W(Si25O73)(O,OH,H2O)3(OH,Cl)2
2.980(29.96) 100 11.500(7.68) 90 2.856(31.29) 80 Khomyakovite Na12Sr3Ca6Fe3Zr3W(Si25O73)(O,OH,H2O)3 (OH,Cl)2
2.980(29.96) 100 5.770(15.34) 90 3.530(25.21) 60 Lusungite (Sr,Pb)Fe+++3(PO4)2(OH)5•(H2O)
2.980(29.96) 100 5.700(15.53) 90 2.438(36.84) 80 Inaglyite PbCu3(Ir,Pt)8S16
2.980(29.96) 100 4.820(18.39) 90 5.910(14.98) 70 Olivenite Cu2AsO4(OH)
2.980(29.96) 100 3.690(24.10) 80 3.740(23.77) 80 Koragoite (Mn++,Fe+++)3(Nb,Ta,Ti)2(Nb,Mn)2(W,Ta)2O20
2.980(29.96) 100 3.650(24.37) 32 1.459(63.73) 29 Ixiolite (Ta,Nb,Sn,Mn++,Fe++)O2

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