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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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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 4.128(21.51) | 100 | 1.934(46.94) | 54 | 2.669(33.55) | 51 | Suredaite | PbSnS3 |
| 4.128(21.51) | 100 | 2.669(33.55) | 54 | 2.808(31.84) | 51 | Suredaite | PbSnS3 |
| 4.130(21.50) | 100 | 3.200(27.86) | 50 | 3.150(28.31) | 40 | Umohoite | [(UO2)MoO4]•H2O |
| 4.131(21.49) | 100 | 5.495(16.12) | 75 | 2.670(33.54) | 45 | Ottemannite | Sn2S3 |
| 4.137(21.46) | 100 | 12.200(7.24) | 36 | 5.642(15.69) | 29 | Hematolite | (Mn,Mg,Al)15(AsO3)(AsO4)2(OH)23 |
| 4.140(21.45) | 100 | 3.340(26.67) | 96 | 6.690(13.22) | 61 | Ekanite | ThCa2Si8O20 |
| 4.140(21.45) | 100 | 2.847(31.40) | 100 | 7.140(12.39) | 100 | Silinaite | NaLiSi2O5•2(H2O) |
| 4.144(21.42) | 100 | 2.917(30.62) | 90 | 2.413(37.23) | 80 | Laflammeite | Pd3Pb2S2 |
| 4.146(21.41) | 100 | 2.989(29.87) | 100 | 2.495(35.97) | 90 | Routhierite | TlCu(Hg,Zn)2(As,Sb)2S3 |
| 4.149(21.40) | 100 | 2.957(30.20) | 90 | 3.594(24.75) | 80 | Baumhauerite | Pb3As4S9 |
| 4.150(21.39) | 100 | 3.780(23.52) | 70 | 2.700(33.15) | 70 | Orthochevkinite | (Ce,La,Ca,Na,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 4.150(21.39) | 100 | 2.700(33.15) | 70 | 3.780(23.52) | 70 | Orthochevkinite | (Ce,La,Ca,Na,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 4.153(21.38) | 100 | 3.759(23.65) | 80 | 2.119(42.63) | 70 | Nickelboussingaultite | (NH4)2(Ni,Mg)(SO4)2•6(H2O) |
| 4.160(21.34) | 100 | 2.340(38.44) | 100 | 3.190(27.95) | 80 | Widenmannite | Pb2(UO2)(CO3)3 |
| 4.160(21.34) | 100 | 3.850(23.08) | 100 | 5.800(15.26) | 80 | Lansfordite | MgCO3•5(H2O) |
| 4.160(21.34) | 100 | 2.550(35.16) | 100 | 12.300(7.18) | 100 | Stilpnomelane | K(Fe++,Mg,Fe+++)8(Si,Al)12(O,OH)27•n(H2O) |
| 4.163(21.33) | 100 | 3.179(28.04) | 99 | 3.671(24.22) | 77 | Sreinite | Pb2(UO2)11(BiO)8(PO4)5(OH)19•6(H2O) |
| 4.171(21.28) | 100 | 8.353(10.58) | 100 | 2.903(30.77) | 90 | Carletonite | KNa4Ca4Si8O18(CO3)4(OH,F)•(H2O) |
| 4.180(21.24) | 100 | 2.350(38.27) | 90 | 1.434(64.98) | 50 | Auroantimonate | AuSbO3 |
| 4.180(21.24) | 100 | 3.740(23.77) | 90 | 2.250(40.04) | 80 | Evenkite | (CH3)2(CH2)22 |
| 4.180(21.24) | 100 | 2.690(33.28) | 30 | 2.452(36.62) | 25 | Goethite | Fe+++O(OH) |
| 4.185(21.21) | 100 | 3.196(27.89) | 80 | 4.520(19.62) | 70 | Asselbornite | (Pb,Ba)(UO2)6(BiO)4(AsO4)2(OH)12•3(H2O) |
| 4.187(21.20) | 100 | 12.510(7.06) | 70 | 6.275(14.10) | 65 | Vertumnite | Ca8Al4(Al4Si5)O12[(OH)36•10(H2O) |
| 4.190(21.19) | 100 | 3.177(28.06) | 90 | 3.474(25.62) | 80 | Tienshanite | BaNa2MnTiB2Si6O20 |
| 4.195(21.16) | 100 | 3.070(29.06) | 100 | 3.052(29.24) | 100 | Anthoinite | AlWO3(OH)3 |
| 4.200(21.14) | 100 | 2.720(32.90) | 90 | 2.510(35.74) | 90 | Swedenborgite | NaBe4SbO7 |
| 4.200(21.14) | 100 | 4.130(21.50) | 55 | 3.790(23.45) | 55 | Mohrite | (NH4)2Fe++(SO4)2•6(H2O) |
| 4.200(21.14) | 100 | 3.580(24.85) | 100 | 3.080(28.97) | 100 | Dalyite | K2ZrSi6O15 |
| 4.200(21.14) | 100 | 2.810(31.82) | 70 | 2.670(33.54) | 70 | Groutite | Mn+++O(OH) |
| 4.200(21.14) | 100 | 2.510(35.74) | 90 | 2.720(32.90) | 90 | Swedenborgite | NaBe4SbO7 |
| 4.200(21.14) | 100 | 3.790(23.45) | 55 | 4.130(21.50) | 55 | Mohrite | (NH4)2Fe++(SO4)2•6(H2O) |
| 4.200(21.14) | 100 | 3.257(27.36) | 90 | 2.752(32.51) | 85 | Eulytite | Bi4(SiO4)3 |
| 4.200(21.14) | 100 | 5.300(16.71) | 60 | 2.850(31.36) | 25 | Morenosite | NiSO4•7(H2O) |
| 4.200(21.14) | 100 | 12.690(6.96) | 100 | 2.874(31.09) | 70 | Stratlingite | Ca2Al[(OH)6AlSiO2-3(OH)4-3]•2,5(H2O) |
| 4.200(21.14) | 100 | 2.670(33.54) | 70 | 2.810(31.82) | 70 | Groutite | Mn+++O(OH) |
| 4.200(21.14) | 100 | 4.980(17.80) | 90 | 4.690(18.91) | 80 | Stanleyite | (V++++O)SO4•6(H2O) |
| 4.201(21.13) | 100 | 16.787(5.26) | 100 | 8.394(10.53) | 80 | Tlalocite | Cu10Zn6(Te++++O3)(Te++++++O4)2Cl(OH)25•27(H2O) |
| 4.203(21.12) | 100 | 3.777(23.53) | 60 | 2.483(36.15) | 30 | Parajamesonite | Pb4FeSb6S14 |
| 4.204(21.12) | 100 | 3.313(26.89) | 60 | 2.749(32.54) | 40 | Vaughanite | TlHgSb4S7 |
| 4.210(21.08) | 100 | 7.500(11.79) | 90 | 3.020(29.55) | 90 | Churchite-(Y) | YPO4•2(H2O) |
| 4.210(21.08) | 100 | 5.350(16.56) | 25 | 2.677(33.45) | 25 | Epsomite | MgSO4•7(H2O) |
| 4.210(21.08) | 100 | 2.241(40.21) | 100 | 1.726(53.01) | 75 | Gatumbaite | CaAl2(PO4)2(OH)2•(H2O) |
| 4.210(21.08) | 100 | 2.010(45.07) | 100 | 3.330(26.75) | 60 | Carbonatecyanotrichite | Cu++4Al2(CO3,SO4)(OH)12•2(H2O) |
| 4.210(21.08) | 100 | 10.100(8.75) | 100 | 2.010(45.07) | 60 | Carbonatecyanotrichite | Cu++4Al2(CO3,SO4)(OH)12•2(H2O) |
| 4.210(21.08) | 100 | 2.677(33.45) | 25 | 5.350(16.56) | 25 | Epsomite | MgSO4•7(H2O) |
| 4.210(21.08) | 100 | 2.873(31.10) | 99 | 2.964(30.13) | 88 | Ferronordite-(La) | Na3Sr(La,Ce)FeSi6O17 |
| 4.210(21.08) | 100 | 3.020(29.55) | 90 | 7.500(11.79) | 90 | Churchite-(Y) | YPO4•2(H2O) |
| 4.210(21.08) | 100 | 5.360(16.53) | 80 | 4.180(21.24) | 50 | Goslarite | ZnSO4•7(H2O) |
| 4.210(21.08) | 100 | 8.070(10.95) | 100 | 2.680(33.41) | 90 | Zunyite | Al13Si5O20(OH,F)18Cl |
| 4.210(21.08) | 100 | 3.510(25.35) | 100 | 4.850(18.28) | 50 | Bilinite | Fe++Fe+++2(SO4)4•22(H2O) |
| 4.215(21.06) | 100 | 2.965(30.12) | 83 | 3.326(26.78) | 67 | Manganonordite-(Ce) | Na3SrCeMn++Si6O17 |
| 4.216(21.05) | 100 | 2.964(30.13) | 73 | 3.325(26.79) | 67 | Ferronordite-(Ce) | Na3SrCeFe++Si6O17 |
| 4.220(21.03) | 100 | 2.085(43.36) | 95 | 5.110(17.34) | 85 | Boussingaultite | (NH4)2Mg(SO4)2•6(H2O) |
| 4.220(21.03) | 100 | 8.450(10.46) | 90 | 3.370(26.43) | 70 | Leucosphenite | Na4BaTi2O2[B2Si10O28] |
| 4.223(21.02) | 100 | 4.207(21.10) | 80 | 3.647(24.39) | 59 | Tamarugite | NaAl(SO4)2•6(H2O) |
| 4.230(20.98) | 100 | 2.456(36.56) | 100 | 1.720(53.21) | 100 | Hisingerite | Fe+++2Si2O5(OH)4•2(H2O) |
| 4.232(20.97) | 100 | 2.362(38.07) | 100 | 2.006(45.16) | 100 | Khaidarkanite | Na0.34Cu4Al3(OH)14F3•2(H2O) |
| 4.240(20.93) | 100 | 2.620(34.20) | 80 | 3.310(26.91) | 60 | Rodalquilarite | H3Fe+++2(Te++++O3)4Cl |
| 4.240(20.93) | 100 | 4.830(18.35) | 60 | 4.920(18.01) | 40 | Misenite | K8H8(SO4)7 (?) |
| 4.240(20.93) | 100 | 2.693(33.24) | 80 | 3.109(28.69) | 70 | Foggite | CaAl(PO4)(OH)2•(H2O) |
| 4.240(20.93) | 100 | 3.650(24.37) | 60 | 4.830(18.35) | 40 | Misenite | K8H8(SO4)7 (?) |
| 4.247(20.90) | 100 | 4.179(21.24) | 70 | 2.730(32.78) | 60 | Khademite | Al(SO4)F•5(H2O) |
| 4.250(20.88) | 100 | 2.872(31.11) | 90 | 7.030(12.58) | 82 | Ojuelaite | ZnFe+++2(AsO4)2(OH)2•4(H2O) |
| 4.250(20.88) | 100 | 3.060(29.16) | 80 | 3.640(24.43) | 80 | Karasugite | SrCaAl(F,OH)7 |
| 4.250(20.88) | 100 | 3.640(24.43) | 80 | 3.060(29.16) | 80 | Karasugite | SrCaAl(F,OH)7 |
| 4.250(20.88) | 100 | 4.570(19.41) | 40 | 2.964(30.13) | 20 | Retgersite | NiSO4•6(H2O) |
| 4.251(20.88) | 100 | 2.873(31.10) | 100 | 2.768(32.32) | 100 | Vuonnemite | Na11Nb2TiSi4O12(PO4)2O5F2 |
| 4.257(20.85) | 100 | 5.601(15.81) | 60 | 2.919(30.60) | 55 | Struvite | (NH4)MgPO4•6(H2O) |
| 4.258(20.84) | 100 | 7.590(11.65) | 49 | 4.060(21.87) | 48 | Mangazeite | Al2(SO4)(OH)4•3H2O |
| 4.260(20.83) | 100 | 5.453(16.24) | 42 | 3.335(26.71) | 42 | Riomarinaite | Bi(OH)SO4•H2O |
| 4.260(20.83) | 100 | 3.335(26.71) | 42 | 5.453(16.24) | 42 | Riomarinaite | Bi(OH)SO4•H2O |
| 4.260(20.83) | 100 | 2.905(30.75) | 90 | 2.048(44.19) | 80 | Calcioancylite-(Nd) | CaNd(CO3)2(OH)•(H2O) |
| 4.260(20.83) | 100 | 3.270(27.25) | 90 | 4.140(21.45) | 80 | Struvite-(K) | KMg(PO4)•6(H2O) |
| 4.260(20.83) | 100 | 4.190(21.19) | 60 | 3.910(22.72) | 50 | Rostite | AlSO4(OH,F)•5(H2O) |
| 4.260(20.83) | 100 | 4.470(19.85) | 100 | 4.120(21.55) | 80 | Chaoite | C |
| 4.260(20.83) | 100 | 3.050(29.26) | 100 | 6.600(13.40) | 90 | Armstrongite | CaZrSi6O15•3(H2O) |
| 4.270(20.79) | 100 | 2.119(42.63) | 80 | 2.372(37.90) | 70 | Khatyrkite | (Cu,Zn)Al2 |
| 4.270(20.79) | 100 | 8.600(10.28) | 100 | 1.998(45.35) | 95 | Kirgyzstanite | ZnAl4(SO4)(OH)12•3(H2O) |
| 4.270(20.79) | 100 | 1.388(67.42) | 100 | 2.190(41.19) | 90 | Jeremejevite | Al6B5O15(F,OH)3 |
| 4.270(20.79) | 100 | 3.000(29.76) | 85 | 2.940(30.38) | 85 | Dumontite | Pb2(UO2)3O2(PO4)2•5(H2O) |
| 4.270(20.79) | 100 | 2.940(30.38) | 85 | 3.000(29.76) | 85 | Dumontite | Pb2(UO2)3O2(PO4)2•5(H2O) |
| 4.276(20.76) | 100 | 5.160(17.17) | 90 | 5.620(15.76) | 50 | Camerolaite | Cu4Al2[HSbO4,SO4](OH)10(CO3)•2(H2O) |
| 4.279(20.74) | 100 | 3.106(28.72) | 60 | 3.687(24.12) | 40 | Mundrabillaite | (NH4)2Ca(HPO4)2•(H2O) |
| 4.280(20.74) | 100 | 6.970(12.69) | 100 | 4.810(18.43) | 100 | Arthurite | CuFe+++2(AsO4,PO4,SO4)2(O,OH)2•4(H2O) |
| 4.280(20.74) | 100 | 7.630(11.59) | 100 | 3.070(29.06) | 80 | Gypsum | CaSO4•2(H2O) |
| 4.280(20.74) | 100 | 4.810(18.43) | 100 | 6.970(12.69) | 100 | Arthurite | CuFe+++2(AsO4,PO4,SO4)2(O,OH)2•4(H2O) |
| 4.283(20.72) | 100 | 3.021(29.54) | 92 | 10.520(8.40) | 54 | Braitschite-(Ce) | (Ca,Na2)7(Ce,La)2B22O43•7(H2O) |
| 4.290(20.69) | 100 | 2.790(32.05) | 70 | 3.220(27.68) | 50 | Sternbergite | AgFe2S3 |
| 4.290(20.69) | 100 | 2.930(30.48) | 89 | 2.060(43.92) | 78 | Kozoite-(Nd) | (Nd,La,Sm,Pr)(CO3)(OH) |
| 4.290(20.69) | 100 | 5.390(16.43) | 60 | 4.830(18.35) | 45 | Variscite | AlPO4•2(H2O) |
| 4.290(20.69) | 100 | 2.060(43.92) | 89 | 1.892(48.05) | 78 | Kozoite-(Nd) | (Nd,La,Sm,Pr)(CO3)(OH) |
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