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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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 3.104(28.74) | 100 | 1.897(47.91) | 70 | 1.828(49.84) | 50 | Wilhelmramsayite | Cu3FeS3•2(H2O) |
| 3.104(28.74) | 100 | 2.486(36.10) | 70 | 1.672(54.86) | 30 | Theoparacelsite | Cu3(OH)2(As2O7) |
| 3.104(28.74) | 100 | 3.466(25.68) | 60 | 1.542(59.94) | 50 | Coronadite | Pb(Mn++++,Mn++)8O16 |
| 3.104(28.74) | 100 | 6.600(13.40) | 86 | 3.288(27.10) | 75 | Hemimorphite | Zn4Si2O7(OH)2•(H2O) |
| 3.104(28.74) | 100 | 1.828(49.84) | 70 | 2.292(39.28) | 50 | Wilhelmramsayite | Cu3FeS3•2(H2O) |
| 3.108(28.70) | 100 | 1.902(47.78) | 65 | 1.623(56.67) | 35 | Famatinite | Cu3SbS4 |
| 3.108(28.70) | 100 | 2.927(30.52) | 80 | 3.044(29.32) | 70 | Kulanite | Ba(Fe++,Mn,Mg)2Al2(PO4)3(OH)3 |
| 3.108(28.70) | 100 | 3.027(29.48) | 100 | 2.809(31.83) | 100 | Calciocopiapite | CaFe+++4(SO4)6(OH)2•19(H2O) |
| 3.109(28.69) | 100 | 2.248(40.08) | 70 | 1.368(68.54) | 67 | Antimony | Sb |
| 3.110(28.68) | 100 | 2.017(44.90) | 100 | 2.786(32.10) | 80 | Bariosincosite | Ba(V++++O)2(PO4)2•4(H2O) |
| 3.110(28.68) | 100 | 2.850(31.36) | 60 | 2.236(40.30) | 60 | Bakerite | Ca4B4(BO4)(SiO4)3(OH)3•(H2O) |
| 3.110(28.68) | 100 | 2.656(33.72) | 100 | 5.300(16.71) | 100 | Berborite | Be2(BO3)(OH,F)•(H2O) |
| 3.110(28.68) | 100 | 3.250(27.42) | 50 | 3.050(29.26) | 50 | Walpurgite | Bi4(UO2)(AsO4)2O4•2(H2O) |
| 3.110(28.68) | 100 | 2.830(31.59) | 100 | 2.540(35.31) | 90 | Minasgeraisite-(Y) | CaY2Be2Si2O10 |
| 3.110(28.68) | 100 | 2.665(33.60) | 90 | 2.850(31.36) | 70 | Shkatulkalite | {(Na,Mn,Ca,[ ])4[Nb2(O,H2O)4Si4O14](OH,F)2}•2(H2O,[ ]) |
| 3.110(28.68) | 100 | 15.560(5.68) | 90 | 2.665(33.60) | 70 | Shkatulkalite | {(Na,Mn,Ca,[ ])4[Nb2(O,H2O)4Si4O14](OH,F)2}•2(H2O,[ ]) |
| 3.110(28.68) | 100 | 6.060(14.61) | 90 | 1.843(49.41) | 80 | Arsenobismite | Bi2(AsO4)(OH)3 |
| 3.110(28.68) | 100 | 4.990(17.76) | 100 | 5.850(15.13) | 60 | Parabutlerite | Fe+++(SO4)(OH)•2(H2O) |
| 3.110(28.68) | 100 | 2.280(39.49) | 60 | 2.130(42.40) | 50 | Ingodite | Bi(S,Te) |
| 3.110(28.68) | 100 | 3.050(29.26) | 50 | 3.250(27.42) | 50 | Walpurgite | Bi4(UO2)(AsO4)2O4•2(H2O) |
| 3.110(28.68) | 100 | 1.919(47.33) | 50 | 1.858(48.99) | 30 | Hemusite | Cu6SnMoS8 |
| 3.110(28.68) | 100 | 2.400(37.44) | 60 | 1.620(56.78) | 50 | Argutite | GeO2 |
| 3.110(28.68) | 100 | 1.906(47.67) | 70 | 1.621(56.74) | 20 | Stannoidite | Cu8Fe3Sn2S12 |
| 3.110(28.68) | 100 | 2.236(40.30) | 60 | 2.850(31.36) | 60 | Bakerite | Ca4B4(BO4)(SiO4)3(OH)3•(H2O) |
| 3.110(28.68) | 100 | 3.130(28.49) | 100 | 2.930(30.48) | 45 | Thortveitite | (Sc,Y)2Si2O7 |
| 3.110(28.68) | 100 | 3.700(24.03) | 90 | 2.600(34.47) | 70 | Burckhardtite | Pb2(Fe+++,Mn+++)Te++++(AlSi3O10)O2(OH)2•(H2O) |
| 3.112(28.66) | 100 | 2.982(29.94) | 40 | 2.127(42.46) | 20 | IMA2009-001 | Ba5(Ca,REE,Y)22(Ti,Nb)18(SiO4)4[(PO4),(SiO4)]4(BO3)9O22[(OH),F]43(H2O)1.5 |
| 3.112(28.66) | 100 | 2.127(42.46) | 40 | 2.632(34.03) | 20 | IMA2009-001 | Ba5(Ca,REE,Y)22(Ti,Nb)18(SiO4)4[(PO4),(SiO4)]4(BO3)9O22[(OH),F]43(H2O)1.5 |
| 3.112(28.66) | 100 | 5.947(14.88) | 87 | 3.666(24.26) | 34 | Dorallcharite | (Tl,K)Fe+++3(SO4)2(OH)6 |
| 3.113(28.65) | 100 | 4.050(21.93) | 45 | 3.331(26.74) | 45 | Rhomboclase | (H5O2)+Fe+++(SO4)2•2(H2O) |
| 3.113(28.65) | 100 | 3.331(26.74) | 45 | 4.050(21.93) | 45 | Rhomboclase | (H5O2)+Fe+++(SO4)2•2(H2O) |
| 3.113(28.65) | 100 | 3.512(25.34) | 90 | 7.010(12.62) | 80 | Sayrite | Pb2(UO2)5O6(OH)2•4(H2O) |
| 3.114(28.64) | 100 | 6.034(14.67) | 45 | 2.280(39.49) | 37 | IMA2008-063 | Pb[Zn0.25,[ ]0.75]Fe3H(AsO4)2(OH)6 |
| 3.114(28.64) | 100 | 2.855(31.30) | 65 | 2.189(41.21) | 60 | Datolite | CaBSiO4(OH) |
| 3.114(28.64) | 100 | 4.312(20.58) | 48 | 6.394(13.84) | 36 | Mackelveyite-(Y) | NaBa3CaY(CO3)3(OH)6•3H2O |
| 3.114(28.64) | 100 | 4.383(20.24) | 85 | 5.509(16.08) | 60 | Strengite | Fe+++PO4•2(H2O) |
| 3.115(28.63) | 100 | 2.809(31.83) | 62 | 1.872(48.59) | 37 | Litharge | PbO |
| 3.116(28.62) | 100 | 4.487(19.77) | 90 | 2.760(32.41) | 90 | Calcioandyrobertsite-2O | KCaCu5(AsO4)4[As(OH)2O2]•2(H2O) |
| 3.116(28.62) | 100 | 6.210(14.25) | 72 | 7.210(12.27) | 70 | Yegorovite | Na4[Si2O4(OH)2]2•7H2O |
| 3.116(28.62) | 100 | 2.760(32.41) | 90 | 4.487(19.77) | 90 | Calcioandyrobertsite-2O | KCaCu5(AsO4)4[As(OH)2O2]•2(H2O) |
| 3.116(28.62) | 100 | 2.282(39.45) | 75 | 4.550(19.49) | 55 | Vihorlatite | Bi24Se17Te4 |
| 3.117(28.61) | 100 | 1.840(49.50) | 80 | 2.722(32.88) | 50 | Scrutinyite | PbO2 |
| 3.118(28.61) | 100 | 1.637(56.14) | 60 | 2.567(34.92) | 50 | Petewilliamsite | (Ni,Co,Cu)30(As2O7)15 |
| 3.118(28.61) | 100 | 3.005(29.71) | 60 | 1.637(56.14) | 50 | Petewilliamsite | (Ni,Co,Cu)30(As2O7)15 |
| 3.118(28.61) | 100 | 1.844(49.38) | 50 | 1.595(57.75) | 45 | Samaniite | Cu2Fe5Ni2S8 |
| 3.118(28.61) | 100 | 3.090(28.87) | 95 | 9.400(9.40) | 80 | Chaidamuite | (Zn,Fe++)Fe+++(SO4)2(OH)•4(H2O) |
| 3.119(28.60) | 100 | 3.660(24.30) | 80 | 2.518(35.63) | 75 | Phenakite | Be2SiO4 |
| 3.119(28.60) | 100 | 2.558(35.05) | 100 | 1.560(59.18) | 80 | Harrisonite | Ca(Fe++,Mg)6(PO4)2(SiO4)2 |
| 3.119(28.60) | 100 | 1.560(59.18) | 100 | 2.505(35.82) | 80 | Harrisonite | Ca(Fe++,Mg)6(PO4)2(SiO4)2 |
| 3.120(28.59) | 100 | 4.360(20.35) | 70 | 3.880(22.90) | 70 | Kvanefjeldite | Na4(Ca,Mn)Si6O14(OH)2 |
| 3.120(28.59) | 100 | 2.828(31.61) | 80 | 2.253(39.98) | 80 | Fluorthalenite-(Y) | Y3Si3O10F |
| 3.120(28.59) | 100 | 2.700(33.15) | 100 | 2.670(33.54) | 100 | Harmotome | (Ba,Na,K)1-2(Si,Al)8O16•6(H2O) |
| 3.120(28.59) | 100 | 2.630(34.06) | 100 | 3.620(24.57) | 100 | Garavellite | FeSbBiS4 |
| 3.120(28.59) | 100 | 1.173(82.09) | 90 | 2.198(41.03) | 70 | IMA2009-015 | NaSrCeF6 |
| 3.120(28.59) | 100 | 2.820(31.70) | 100 | 4.010(22.15) | 80 | Mcbirneyite | Cu3(VO4)2 |
| 3.120(28.59) | 100 | 2.840(31.47) | 100 | 2.840(31.47) | 85 | Calcybeborosilite-(Y) | (REE,Ca)2[ ](B,Be)2(SiO4)2(OH,O)2 |
| 3.120(28.59) | 100 | 8.380(10.55) | 100 | 2.710(33.03) | 90 | Actinolite | Ca2(Mg,Fe++)5Si8O22(OH)2 |
| 3.120(28.59) | 100 | 2.961(30.16) | 100 | 3.546(25.09) | 80 | Petrovicite | PbHgCu3BiSe5 |
| 3.120(28.59) | 100 | 2.520(35.60) | 70 | 2.670(33.54) | 30 | Tanteuxenite-(Y) | (Y,Ce,Ca)(Ta,Nb,Ti)2(O,OH)6 |
| 3.120(28.59) | 100 | 1.796(50.79) | 90 | 1.173(82.09) | 70 | IMA2009-015 | NaSrCeF6 |
| 3.120(28.59) | 100 | 8.380(10.55) | 100 | 2.710(33.03) | 90 | Tremolite | [ ]Ca2Mg5Si8O22(OH)2 |
| 3.120(28.59) | 100 | 8.200(10.78) | 75 | 2.798(31.96) | 40 | Magnesio-arfvedsonite | NaNa2(Mg4Fe++)Si8O22(OH)2 |
| 3.120(28.59) | 100 | 6.460(13.70) | 73 | 5.950(14.88) | 70 | Georgechaoite | KNaZrSi3O9•2(H2O) |
| 3.120(28.59) | 100 | 5.930(14.93) | 60 | 2.580(34.74) | 50 | Rhodostannite | Cu2FeSn3S8 |
| 3.120(28.59) | 100 | 3.880(22.90) | 70 | 4.360(20.35) | 70 | Kvanefjeldite | Na4(Ca,Mn)Si6O14(OH)2 |
| 3.120(28.59) | 100 | 3.310(26.91) | 85 | 2.150(41.99) | 40 | Monazite-(La) | (La,Ce,Nd)PO4 |
| 3.120(28.59) | 100 | 2.960(30.17) | 90 | 1.901(47.81) | 50 | Fergusonite-(Y) | YNbO4 |
| 3.120(28.59) | 100 | 2.955(30.22) | 95 | 1.900(47.83) | 75 | Fergusonite-beta-(Y) | YNbO4 |
| 3.120(28.59) | 100 | 2.870(31.14) | 70 | 2.520(35.60) | 30 | Tanteuxenite-(Y) | (Y,Ce,Ca)(Ta,Nb,Ti)2(O,OH)6 |
| 3.120(28.59) | 100 | 2.580(34.74) | 50 | 3.970(22.38) | 45 | Kalsilite | KAlSiO4 |
| 3.120(28.59) | 100 | 2.310(38.96) | 50 | 4.920(18.01) | 40 | Kawazulite | Bi2(Te,Se,S)3 |
| 3.120(28.59) | 100 | 2.280(39.49) | 33 | 4.660(19.03) | 19 | Telluronevskite | Bi3TeSe2 |
| 3.120(28.59) | 100 | 1.915(47.44) | 55 | 1.633(56.29) | 30 | Nantokite | CuCl |
| 3.120(28.59) | 100 | 1.909(47.59) | 54 | 1.627(56.52) | 40 | Aktashite | Cu6Hg3As4S12 |
| 3.120(28.59) | 100 | 1.904(47.73) | 90 | 2.730(32.78) | 80 | Kalistrontite | K2Sr(SO4)2 |
| 3.120(28.59) | 100 | 8.430(10.49) | 80 | 3.267(27.27) | 40 | Edenite | NaCa2Mg5Si7AlO22(OH)2 |
| 3.120(28.59) | 100 | 9.100(9.71) | 90 | 4.600(19.28) | 70 | Lanthanite-(La) | (La,Ce)2(CO3)3•8(H2O) |
| 3.120(28.59) | 100 | 2.253(39.98) | 80 | 2.828(31.61) | 80 | Fluorthalenite-(Y) | Y3Si3O10F |
| 3.120(28.59) | 100 | 22.000(4.01) | 100 | 11.000(8.03) | 80 | Gyrolite | NaCa16Si23AlO60(OH)8•64(H2O) |
| 3.122(28.57) | 100 | 7.120(12.42) | 80 | 3.550(25.06) | 60 | Richetite | PbU++++++4O13•4(H2O) |
| 3.122(28.57) | 100 | 8.399(10.52) | 56 | 2.798(31.96) | 48 | Leakeite | NaNa2(Mg2Fe+++2Li)Si8O22(OH)2 |
| 3.123(28.56) | 100 | 2.162(41.74) | 40 | 2.804(31.89) | 30 | Paulkellerite | Bi2Fe+++(PO4)O2(OH)2 |
| 3.123(28.56) | 100 | 3.723(23.88) | 100 | 2.641(33.91) | 80 | Magnesiochlorophoenicite | (Mg,Mn)3Zn2(AsO4)(OH,O)6 |
| 3.123(28.56) | 100 | 1.912(47.51) | 51 | 1.633(56.29) | 30 | Sphalerite | (Zn,Fe)S |
| 3.124(28.55) | 100 | 8.421(10.50) | 61 | 3.271(27.24) | 61 | Fluoro-magnesiohastingsite | (Na,K)Ca2(Mg,Fe+++,Ti)5(Si,Al)8O22F2 |
| 3.124(28.55) | 100 | 8.430(10.49) | 40 | 3.269(27.26) | 35 | Pargasite | NaCa2(Mg,Fe++)4Al(Si6Al2)O22(OH)2 |
| 3.124(28.55) | 100 | 5.840(15.16) | 80 | 5.930(14.93) | 80 | Gaidonnayite | Na2ZrSi3O9•2(H2O) |
| 3.124(28.55) | 100 | 1.913(47.49) | 51 | 1.632(56.33) | 44 | Cerianite-(Ce) | (Ce++++,Th)O2 |
| 3.124(28.55) | 100 | 3.271(27.24) | 61 | 8.421(10.50) | 61 | Fluoro-magnesiohastingsite | (Na,K)Ca2(Mg,Fe+++,Ti)5(Si,Al)8O22F2 |
| 3.124(28.55) | 100 | 5.930(14.93) | 80 | 5.840(15.16) | 80 | Gaidonnayite | Na2ZrSi3O9•2(H2O) |
| 3.125(28.54) | 100 | 3.140(28.40) | 90 | 4.018(22.10) | 40 | Barytocalcite | BaCa(CO3)2 |
| 3.125(28.54) | 100 | 8.403(10.52) | 60 | 3.271(27.24) | 50 | Fluoro-edenite | NaCa2Mg5Si7AlO22(F,OH)2 |
| 3.128(28.51) | 100 | 3.071(29.05) | 70 | 3.596(24.74) | 70 | Kupcikite | Cu3.4Fe0.6Bi5S10 |
| 3.128(28.51) | 100 | 1.918(47.36) | 50 | 1.637(56.14) | 30 | Geerite | Cu8S5 |
| 3.128(28.51) | 100 | 3.596(24.74) | 70 | 3.071(29.05) | 70 | Kupcikite | Cu3.4Fe0.6Bi5S10 |
| 3.128(28.51) | 100 | 7.080(12.49) | 100 | 3.485(25.54) | 80 | Agrinierite | (K2,Ca,Sr)U3O10•4(H2O) |
| 3.129(28.50) | 100 | 8.420(10.50) | 34 | 2.804(31.89) | 28 | Fluoro-magnesio-arfvedsonite | NaNa2(Mg,Fe++)4Fe+++[Si8O22](F,OH)2 |
| 3.130(28.49) | 100 | 2.830(31.59) | 100 | 2.560(35.02) | 90 | Gadolinite-(Y) | Y2Fe++Be2Si2O10 |
| 3.130(28.49) | 100 | 2.850(31.36) | 100 | 2.572(34.85) | 80 | Hingganite-(Yb) | (Yb,Y)2([ ])Be2Si2O8(OH)2 |
| 3.130(28.49) | 100 | 2.930(30.48) | 90 | 1.570(58.76) | 70 | Formanite-(Y) | YTaO4 |