X-Ray Diffraction Table |
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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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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