Mineralogy Database

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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Elements

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Found 4479 Records, Sorted by D1 using 1.54056 - CuKa1 for 2θ
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
11.860(7.45) 200 6.980(12.67) 180 4.720(18.78) 140 Cesbronite-x Cu5(TeO3)2(OH)6·2(H2O)
11.868(7.44) 200 6.980(12.67) 184 9.778(9.04) 142 Cesbronite Cu5(TeO3)2(OH)6·2(H2O)
11.880(7.44) 200 5.940(14.90) 86 10.420(8.48) 74 Schertelite (NH4)2MgH2(PO4)2·4(H2O)
11.886(7.43) 200 9.632(9.17) 130 6.338(13.96) 88 Ruifrancoite Ca2([ ],Mn)2(Fe+++,Mn,Mg)4Be4(PO4)6(OH)4·6H2O
11.900(7.42) 200 6.020(14.70) 180 12.920(6.84) 160 Paraumbite K3Zr2HSi6O18·n(H2O) n=3 to 7
11.920(7.41) 200 19.160(4.61) 180 6.360(13.91) 140 Roscherite Ca(Mn++,Fe++)5Be4(PO4)6(OH)4·6(H2O)
11.940(7.40) 200 12.220(7.23) 160 6.180(14.32) 140 Nabesite Na2BeSi4O10·4(H2O)
11.940(7.40)
-
8.660(10.21)
-
8.420(10.50)
-
Kumdykolite NaAlSi3O8
11.960(7.39) 200 6.304(14.04) 180 18.960(4.66) 180 Guimaraesite Ca2(Zn,Mg,Fe)5Be4(PO4)6(OH)4·6H2O
11.980(7.37) 200 7.160(12.35) 180 10.942(8.07) 140 Melanophlogite SiO2·n(C,H,O,S)
11.988(7.37) 200 5.890(15.03) 164 15.808(5.59) 140 IMA2009-038 Ca4Al2(PO4)2F8·5H2O
11.996(7.36) 200 19.150(4.61) 106 6.384(13.86) 88 Footemineite Ca2Mn++Mn++2Mn++2Be4(PO4)6(OH)4·6H2O
12.012(7.35) 200 6.006(14.74) 140 6.094(14.52) 120 Olmsteadite KFe++2(Nb,Ta)(PO4)2O2·2(H2O)
12.020(7.35) 200 6.010(14.73) 160 6.108(14.49) 140 Johnwalkite K(Mn++,Fe+++,Fe++)2(Nb,Ta)(PO4)2O2((H2O),OH)2
12.030(7.34) 200 7.388(11.97) 134 4.280(20.74) 60 Mcguinnessite (Mg,Cu)2(CO3)(OH)2
12.040(7.34) 200 15.680(5.63) 200 6.500(13.61) 160 Sitinakite Na2K(Ti,Nb)4O4(SiO4)2(O,OH)·4(H2O)
12.046(7.33) 200 6.730(13.14) 136 5.886(15.04) 110 Ramanite-(Cs) Cs[B5O6(OH)4]·2H2O
12.060(7.32) 200 6.660(13.28) 160 13.420(6.58) 160 Nielsbohrite K(UO2)3(AsO4)(OH)4·H2O
12.092(7.30) 200 6.648(13.31) 118 13.830(6.39) 52 Vajdakite [(MoO2)2(H2O)2As2O5]·(H2O)
12.120(7.29) 200 5.960(14.85) 180 7.940(11.13) 160 Natrosilite Na2Si2O5
12.136(7.28) 200 6.530(13.55) 180 6.046(14.64) 100 Gainesite Na2Zr2Be(PO4)4·1-2(H2O)
12.154(7.27) 200 11.236(7.86) 180 19.070(4.63) 160 Nevadaite (Cu++,[ ],Al,V+++)6[Al8(PO4)8F8] (H2O)23
12.168(7.26) 200 7.716(11.46) 180 6.942(12.74) 160 Frolovite CaB2(OH)8
12.202(7.24) 200 11.242(7.86) 182 19.030(4.64) 134 Cloncurryite [Cu0.56(VO)0.44]Al2(PO4)2(F,OH)·2.5H2O)
12.220(7.23) 200 9.000(9.82) 180 6.358(13.92) 140 Moydite-(Y) YB(OH)4(CO3)
12.220(7.23) 200 6.328(13.98) 130 4.692(18.90) 106 Boehmite AlO(OH)
12.280(7.19) 200 8.762(10.09) 160 7.032(12.58) 120 Kamphaugite-(Y) (Ca1.84REEx)(Y1.46REE0.54-x)(CO3)4(OH)1.65·2(H2O)
12.300(7.18) 200 4.554(19.48) 90 3.660(24.30) 50 Molybdenite MoS2
12.316(7.17) 200 6.152(14.39) 120 20.360(4.34) 80 Mantienneite KMg2Al2Ti(PO4)4(OH)3·15(H2O)
12.322(7.17) 200 6.572(13.46) 100 6.078(14.56) 60 Selwynite NaK(Be,Al)Zr2(PO4)4·2(H2O)
12.340(7.16) 200 14.900(5.93) 200 7.740(11.42) 180 Callaghanite Cu2Mg2(CO3)(OH)6·2(H2O)
12.360(7.15) 200 4.554(19.48) 70 5.462(16.21) 50 Tungstenite WS2
12.360(7.15) 200 5.550(15.96) 130 8.840(1-) 60 Weddellite Ca(C2O4)·2(H2O)
12.380(7.13) 200 5.380(16.46) 140 9.120(9.69) 120 Vyacheslavite U++++(PO4)(OH)·2.5(H2O)
12.400(7.12) 200 4.404(20.15) 160 5.314(16.67) 150 Szaibelyite MgBO2(OH)
12.400(7.12) 200 20.600(4.29) 180 14.920(5.92) 160 Paulkerrite K(Mg,Mn)2(Fe+++,Al)2Ti(PO4)4(OH)3·15(H2O)
12.414(7.11) 200 7.788(11.35) 190 6.188(14.30) 130 Howlite Ca2B5SiO9(OH)5
12.416(7.11) 200 4.826(18.37) 180 5.980(14.80) 180 Grandviewite Cu3Al9(SO4)2(OH)29
12.430(7.11) 200 14.440(6.12) 200 6.208(14.26) 140 Kaliborite KHMg2B12O16(OH)10·4(H2O)
12.460(7.09) 200 6.280(14.09) 160 7.920(11.16) 140 Curite Pb3+x(H2O)2[(UO2)4+x(OH)3-x]2, x~0.5
12.460(7.09) 200 6.300(14.05) 180 20.800(4.24) 180 Matveevite KTiMn2Fe+++2(PO4)4(OH)3·15(H2O)
12.482(7.08) 200 14.172(6.23) 100 7.060(12.53) 80 Decrespignyite-(Y) (Y,REE)4Cu(CO3)4Cl(OH)5·2(H2O)
12.500(7.07) 200 13.000(6.79) 140 6.460(13.70) 120 Alumohydrocalcite CaAl2(CO3)2(OH)4·3(H2O)
12.520(7.05) 200 6.580(13.45) 180 4.940(17.94) 160 Lepidocrocite FeO(OH)
12.560(7.03) 200 6.980(12.67) 160 9.560(9.24) 140 Wakabayashilite (As,Sb)6As4S14
12.560(7.03) 200 6.280(14.09) 120 6.700(13.20) 40 Sincosite Ca(V++++O)2(PO4)2·5(H2O)
12.580(7.02) 200 3.838(23.16) 120 6.276(14.10) 100 Kiddcreekite Cu6SnWS8
12.640(6.99) 200 6.560(13.49) 150 5.856(15.12) 130 Krohnkite Na2Cu(SO4)2·2(H2O)
12.640(6.99) 200 4.956(17.88) 160 5.488(16.14) 160 Sussexite MnBO2(OH)
12.700(6.95) 200 6.480(13.65) 120 6.334(13.97) 80 Gaultite Na4Zn2Si7O18·5(H2O)
12.778(6.91) 200 6.386(13.86) 90 5.758(15.38) 40 Ulrichite CaCu(UO2)(PO4)2·4(H2O)
12.780(6.91) 200 7.440(11.89) 80 9.160(9.65) 40 Ewaldite (Ba,Sr)(Ca,Na,Y,Ce)(CO3)2
12.790(6.91) 200 6.868(12.88) 160 25.606(3.45) 100 Graemite CuTeO3·(H2O)
12.800(6.90) 200 9.440(9.36) 100 12.200(7.24) 100 Aksaite MgB6O7(OH)6·2(H2O)
12.840(6.88) 200 14.560(6.07) 200 8.000(11.05) 160 Camgasite CaMg(AsO4)(OH)·5(H2O)
12.856(6.87) 200 6.434(13.75) 140 5.200(17.04) 120 Jensenite Cu++3Te++++++O6·2(H2O)
12.890(6.85) 200 18.004(4.90) 60 16.428(5.37) 52 Simonellite C19H24
12.940(6.83) 200 16.620(5.31) 200 9.940(8.89) 50 Meyerhofferite Ca2B6O6(OH)10·2(H2O)
12.960(6.81) 200 6.480(13.65) 140 6.180(14.32) 120 Fluellite Al2(PO4)F2(OH)·7(H2O)
12.960(6.81) 200 16.980(5.20) 160 6.108(14.49) 120 Kamotoite-(Y) (Y,Nd,Gd)2U++++++4(CO3)3O12·14.5(H2O)
12.960(6.81) 200 6.084(14.55) 160 5.644(15.69) 140 Fingerite Cu11(VO4)6O2
13.000(6.79) 200 8.720(10.14) 160 12.600(7.01) 100 Macdonaldite BaCa4[Si16O36(OH)2]·10(H2O)
13.000(6.79) 200 7.720(11.45) 180 5.220(16.97) 140 Nesquehonite Mg(HCO3)(OH)·2(H2O)
13.040(6.77) 200 5.060(17.51) 160 5.800(15.26) 120 Murunskite K2Cu3FeS4
13.040(6.77) 200 6.510(13.59) 80 8.100(10.91) 80 Wooldridgeite Na2CaCu++2(P2O7)2·10(H2O)
13.040(6.77) 200 12.060(7.32) 160 6.010(14.73) 100 Liroconite Cu2Al(AsO4)(OH)4·4(H2O)
13.050(6.77) 200 7.078(12.50) 160 8.774(10.07) 120 Delrioite CaSrV2O6(OH)2·3(H2O)
13.060(6.76) 200 19.860(4.45) 190 8.480(10.42) 110 Stercorite H(NH4)Na(PO4)·4(H2O)
13.078(6.75) 200 6.338(13.96) 180 14.080(6.27) 160 Wheatleyite Na2Cu(C2O4)2·2(H2O)
13.080(6.75) 200 6.540(13.53) 100 9.560(9.24) 80 Calkinsite-(Ce) (Ce,La)2(CO3)3·4(H2O)
13.100(6.74) 200 6.840(12.93) 160 6.460(13.70) 140 Tombarthite-(Y) Y4(Si,H4)4O12-x(OH)4+2x
13.100(6.74) 200 8.780(10.07) 90 11.800(7.49) 70 Rhodesite KHCa2Si8O19·5(H2O)
13.120(6.73) 200 6.240(14.18) 140 7.060(12.53) 100 Carnotite K2(UO2)2V2O8·3(H2O)
13.140(6.72) 200 10.270(8.60) 60 13.940(6.34) 50 Tunellite SrB6O9(OH)2·3(H2O)
13.140(6.72) 200 6.566(13.47) 110 8.000(11.05) 100 Montroyalite Sr4Al8(CO3)3(OH,F)26·10-11(H2O)
13.160(6.71) 200 5.960(14.85) 60 6.360(13.91) 52 Annabergite Ni3(AsO4)2·8(H2O)
13.200(6.69) 200 6.320(14.00) 80 4.004(22.18) 40 Lakebogaite CaNaFe+++2H(UO2)2(PO4)4(OH)2(H2O)8
13.234(6.67) 200 7.424(11.91) 160 8.232(10.74) 160 Anorthominasragrite V++++O(SO4)(H2O)5
13.248(6.67) 200 5.844(15.15) 144 9.636(9.17) 122 Arupite (Ni,Fe++)3(PO4)2·8(H2O)
13.320(6.63) 200 5.440(16.28) 140 6.280(14.09) 100 Hydrozincite Zn5(CO3)2(OH)6
13.340(6.62) 200 5.382(16.46) 140 5.896(15.01) 140 Pakhomovskyite Co3(PO4)2·8(H2O)
13.360(6.61) 200 11.820(7.47) 160 6.012(14.72) 140 Tinsleyite KAl2(PO4)2(OH)·2(H2O)
13.384(6.60) 200 5.424(16.33) 100 6.010(14.73) 100 Hornesite Mg3(AsO4)2·8(H2O)
13.400(6.59) 200 7.360(12.01) 160 7.440(11.89) 160 Gebhardite Pb8(As+++2O5)2OCl6
13.400(6.59) 200 17.220(5.13) 160 8.320(10.62) 120 Bijvoetite-(Y) (Y,REE)8(H2O)25(UO2)16O8(OH)8(CO3)16·14(H2O)
13.406(6.59) 200 6.448(13.72) 70 15.908(5.55) 54 Kottigite Zn3(AsO4)2·8(H2O)
13.420(6.58) 200 9.720(9.09) 80 17.180(5.14) 80 Metavivianite (Fe++3-x,Fe+++x)(PO4)2(OH)x·8-x(H2O), x=0.5
13.420(6.58) 200 5.398(16.41) 140 5.912(14.97) 120 Baricite (Mg,Fe++)3(PO4)2·8(H2O)
13.420(6.58) 200 6.712(13.18) 184 10.720(8.24) 170 Hungchaoite MgB4O5(OH)4·7(H2O)
13.440(6.57) 200 6.006(14.74) 94 6.454(13.71) 84 Erythrite Co3(AsO4)2·8(H2O)
13.460(6.56) 200 7.440(11.89) 180 8.320(10.62) 120 Astrocyanite-(Ce) Cu2(Ce,Nd,La)2(UO2)(CO3)5(OH)2·1.5(H2O)
13.500(6.54) 200 6.050(14.63) 100 16.114(5.48) 60 Parasymplesite Fe++3(AsO4)2·8(H2O)
13.560(6.51) 200 5.220(16.97) 160 7.360(12.01) 140 Aurichalcite (Zn,Cu)5(CO3)2(OH)6
13.580(6.50) 200 6.780(13.05) 62 10.360(8.53) 18 Nobleite CaB6O9(OH)2·3(H2O)
13.580(6.50) 200 6.122(14.46) 140 11.980(7.37) 140 Leucophosphite KFe+++2(PO4)2(OH)·2(H2O)
13.580(6.50) 200 15.000(5.89) 32 17.940(4.92) 32 Symplesite Fe++3(AsO4)2·8(H2O)
13.580(6.50) 200 11.980(7.37) 180 6.100(14.51) 90 Spheniscidite (NH4,K)(Fe+++,Al)2(PO4)2(OH)·2(H2O)
13.600(6.49) 200 5.420(16.34) 134 5.940(14.90) 134 Vivianite Fe++3(PO4)2·8(H2O)
13.620(6.48) 200 10.800(8.18) 180 17.360(5.09) 180 Liebigite Ca2(UO2)(CO3)3·11(H2O)
13.620(6.48) 200 5.698(15.54) 180 5.966(14.84) 160 Rouseite Pb2Mn++(As+++O3)2·2(H2O)

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