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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 |
| 3.170(28.13) | 100 | 1.858(48.99) | 100 | 2.018(44.88) | 40 | Argentopentlandite | Ag(Fe,Ni)8S8 |
| 3.170(28.13) | 100 | 7.000(12.64) | 90 | 6.330(13.98) | 80 | Kuzmenkoite-Mn | (K,Na)2(Mn,Fe)(Ti,Nb)4[Si4O12]2(OH)4•5(H2O) |
| 3.170(28.13) | 100 | 2.450(36.65) | 90 | 1.659(55.33) | 90 | Orthobrannerite | U++++U++++++Ti4O12(OH)2 |
| 3.170(28.13) | 100 | 3.140(28.40) | 100 | 2.710(33.03) | 100 | Chevkinite-(Ce) | (Ce,La,Ca,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 3.170(28.13) | 100 | 2.240(40.23) | 100 | 1.819(50.11) | 100 | Argentite | Ag2S |
| 3.170(28.13) | 100 | 1.728(52.94) | 85 | 1.695(54.06) | 85 | Thorutite | (Th,U,Ca)Ti2(O,OH)6 |
| 3.170(28.13) | 100 | 2.855(31.30) | 80 | 2.659(33.68) | 80 | Reyerite | (Na,K)4Ca14Si22Al2O58(OH)8•6(H2O) |
| 3.170(28.13) | 100 | 4.290(20.69) | 95 | 4.040(21.98) | 95 | Loweite | Na12Mg7(SO4)13•15(H2O) |
| 3.170(28.13) | 100 | 9.770(9.04) | 100 | 1.485(62.49) | 100 | Brammallite | (Na,H3O)(Al,Mg,Fe)2(Si,Al)4O10[(OH)2,(H2O)] |
| 3.170(28.13) | 100 | 3.040(29.36) | 100 | 3.290(27.08) | 70 | Sarkinite | Mn++2(AsO4)(OH) |
| 3.170(28.13) | 100 | 6.340(13.96) | 100 | 3.020(29.55) | 80 | Messelite | Ca2(Fe++,Mn)(PO4)2•2(H2O) |
| 3.170(28.13) | 100 | 4.496(19.73) | 72 | 1.614(57.01) | 41 | Gottlobite | CaMg(VO4,AsO4)(OH) |
| 3.170(28.13) | 100 | 1.610(57.17) | 90 | 3.320(26.83) | 80 | Mackayite | Fe+++Te2O5(OH) |
| 3.170(28.13) | 100 | 1.659(55.33) | 90 | 2.450(36.65) | 90 | Orthobrannerite | U++++U++++++Ti4O12(OH)2 |
| 3.170(28.13) | 100 | 3.660(24.30) | 90 | 3.590(24.78) | 80 | Aikinite | PbCuBiS3 |
| 3.170(28.13) | 100 | 3.099(28.78) | 35 | 3.210(27.77) | 32 | Plumbotellurite | PbTe++++O3 |
| 3.170(28.13) | 100 | 1.695(54.06) | 85 | 1.728(52.94) | 85 | Thorutite | (Th,U,Ca)Ti2(O,OH)6 |
| 3.170(28.13) | 100 | 1.941(46.76) | 80 | 1.671(54.90) | 40 | Velikite | Cu2HgSnS4 |
| 3.170(28.13) | 100 | 2.788(32.08) | 67 | 9.501(9.30) | 53 | Skorpionite | Ca3Zn2(PO4)2CO3(OH)2•H2O |
| 3.170(28.13) | 100 | 2.659(33.68) | 80 | 2.855(31.30) | 80 | Reyerite | (Na,K)4Ca14Si22Al2O58(OH)8•6(H2O) |
| 3.170(28.13) | 100 | 3.010(29.65) | 60 | 2.830(31.59) | 50 | Larsenite | PbZnSiO4 |
| 3.170(28.13) | 100 | 4.040(21.98) | 95 | 4.290(20.69) | 95 | Loweite | Na12Mg7(SO4)13•15(H2O) |
| 3.171(28.12) | 100 | 2.801(31.92) | 100 | 2.637(33.97) | 100 | Austinite | CaZn(AsO4)(OH) |
| 3.173(28.10) | 100 | 7.361(12.01) | 100 | 2.918(30.61) | 80 | Luddenite | Pb2Cu2Si5O14•14(H2O) |
| 3.174(28.09) | 100 | 2.107(42.89) | 94 | 3.682(24.15) | 80 | Sokolovaite | CsLi2AlSi4O10F2 |
| 3.174(28.09) | 100 | 3.149(28.32) | 100 | 12.364(7.14) | 90 | Natrokomarovite | Na6CaNb6[Si4O12F2•4(H2O) |
| 3.174(28.09) | 100 | 2.918(30.61) | 38 | 1.730(52.88) | 21 | Paramelaconite | Cu+2Cu++2O3 |
| 3.175(28.08) | 100 | 2.938(30.40) | 100 | 3.398(26.20) | 100 | Ferrilotharmeyerite | Ca(Zn,Cu++)(Fe+++,Zn)(AsO4)2(OH,H2O)2 |
| 3.175(28.08) | 100 | 3.093(28.84) | 57 | 3.083(28.94) | 55 | Labuntsovite-Mg | Na4K4(Ba,K)(Mg,Fe)1+xTi8(Si4O12)4(O,OH)8•10(H2O) |
| 3.175(28.08) | 100 | 1.658(55.37) | 45 | 1.944(46.69) | 44 | Walfordite | (Fe+++,Te++++++)Te++++3O8 |
| 3.176(28.07) | 100 | 3.211(27.76) | 30 | 3.752(23.69) | 30 | Albite | NaAlSi3O8 |
| 3.176(28.07) | 100 | 3.752(23.69) | 30 | 3.211(27.76) | 30 | Albite | NaAlSi3O8 |
| 3.179(28.04) | 100 | 3.424(26.00) | 71 | 5.045(17.56) | 60 | IMA2008-056 | NaMn++Fe+++5(PO4)4(OH)6•2H2O |
| 3.180(28.04) | 100 | 2.885(30.97) | 70 | 3.690(24.10) | 30 | Friedrichbeckeite | K([ ],Na)Mg2(Be2Mg)Si12O30 |
| 3.180(28.04) | 100 | 3.690(24.10) | 70 | 4.081(21.76) | 30 | Friedrichbeckeite | K([ ],Na)Mg2(Be2Mg)Si12O30 |
| 3.180(28.04) | 100 | 1.908(47.62) | 35 | 2.517(35.64) | 25 | Margarite | CaAl2(Al2Si2)O10(OH)2 |
| 3.180(28.04) | 100 | 2.724(32.85) | 80 | 4.250(20.88) | 70 | Phosphoferrite | (Fe++,Mn)3(PO4)2•3(H2O) |
| 3.180(28.04) | 100 | 2.896(30.85) | 60 | 4.030(22.04) | 10 | Donpeacorite | (Mn,Mg)MgSi2O6 |
| 3.180(28.04) | 100 | 4.010(22.15) | 80 | 2.490(36.04) | 40 | Liandratite | U++++++(Nb,Ta)2O8 |
| 3.180(28.04) | 100 | 1.635(56.21) | 80 | 1.490(62.26) | 60 | Queitite | Pb4Zn2(SiO4)(Si2O7)(SO4) |
| 3.180(28.04) | 100 | 1.380(67.86) | 75 | 3.350(26.59) | 65 | Kyanite | Al2SiO5 = Al[6]Al[6]OSiO4 |
| 3.180(28.04) | 100 | 7.120(12.42) | 90 | 7.080(12.49) | 90 | Merlinoite | (K,Ca,Na,Ba)7Si23Al9O64•23(H2O) |
| 3.180(28.04) | 100 | 3.760(23.64) | 70 | 3.210(27.77) | 70 | Labradorite | (Ca,Na)(Si,Al)4O8 |
| 3.180(28.04) | 100 | 1.265(75.02) | 80 | 1.949(46.56) | 70 | Tveitite-(Y) | Ca1-xYxF2+x, x~0.3 |
| 3.180(28.04) | 100 | 3.140(28.40) | 68 | 4.470(19.85) | 57 | Munakataite | Pb2Cu2(Se++++O3)(SO4)(OH)4 |
| 3.180(28.04) | 100 | 1.952(46.48) | 100 | 1.671(54.90) | 50 | Mgriite | (Cu,Fe)3AsSe3 |
| 3.180(28.04) | 100 | 4.020(22.09) | 90 | 3.800(23.39) | 80 | Orthoclase | KAlSi3O8 |
| 3.180(28.04) | 100 | 3.210(27.77) | 70 | 3.760(23.64) | 70 | Labradorite | (Ca,Na)(Si,Al)4O8 |
| 3.180(28.04) | 100 | 7.080(12.49) | 90 | 7.120(12.42) | 90 | Merlinoite | (K,Ca,Na,Ba)7Si23Al9O64•23(H2O) |
| 3.181(28.03) | 100 | 2.858(31.27) | 58 | 1.714(53.41) | 32 | Bobdownsite | Ca9Mg(PO3F)(PO4)6 |
| 3.181(28.03) | 100 | 6.050(14.63) | 30 | 5.910(14.98) | 20 | Sassolite | H3BO3 |
| 3.182(28.02) | 100 | 3.484(25.55) | 71 | 9.077(9.74) | 60 | Direnzoite | NaK6MgCa2(Al13Si47O120)•36H2O |
| 3.182(28.02) | 100 | 5.880(15.05) | 65 | 11.900(7.42) | 58 | Paravinogradovite | (Na,[ ])2(Ti,Fe+++)4(Si2O6)2(Si3AlO10)(OH)4•H2O |
| 3.182(28.02) | 100 | 2.555(35.09) | 100 | 2.718(32.93) | 80 | Manganlotharmeyerite | Ca(Mn+++,Mg,)2(AsO4)2(OH,H2O)2 |
| 3.183(28.01) | 100 | 3.540(25.14) | 90 | 2.898(30.83) | 80 | Barberiite | (NH4)BF4 |
| 3.185(27.99) | 100 | 2.941(30.37) | 100 | 3.824(23.24) | 94 | Mazzite-Mg | K2CaMg2(Al,Si)36O72•28(H2O) |
| 3.186(27.98) | 100 | 3.100(28.77) | 96 | 6.940(12.74) | 61 | Lemmleinite-K | NaK2(Ti,Nb)2Si4O12(O,OH)2•2(H2O) |
| 3.186(27.98) | 100 | 2.738(32.68) | 62 | 3.910(22.72) | 44 | Bussenite | Na2(Ba,Sr)2(Fe,Mn)TiSi2O7(CO3)(OH)3F |
| 3.186(27.98) | 100 | 3.301(26.99) | 75 | 8.560(10.33) | 75 | Richterite | Na(CaNa)(Mg,Fe++)5[Si8O22](OH)2 |
| 3.186(27.98) | 100 | 9.600(9.20) | 60 | 3.517(25.30) | 45 | Neptunite | KNa2Li(Fe++,Mn)2Ti2Si8O24 |
| 3.186(27.98) | 100 | 8.560(10.33) | 75 | 3.301(26.99) | 75 | Richterite | Na(CaNa)(Mg,Fe++)5[Si8O22](OH)2 |
| 3.187(27.97) | 100 | 1.951(46.51) | 90 | 1.665(55.11) | 80 | Chameanite | (Cu,Fe)4As(Se,S)4 |
| 3.187(27.97) | 100 | 2.726(32.83) | 90 | 2.788(32.08) | 80 | IMA2008-054 | NaCaMn2(PO4)[PO3(OH)]2 |
| 3.187(27.97) | 100 | 2.788(32.08) | 90 | 6.204(14.26) | 80 | IMA2008-054 | NaCaMn2(PO4)[PO3(OH)]2 |
| 3.188(27.96) | 100 | 3.135(28.45) | 95 | 3.247(27.45) | 87 | Petitjeanite | Bi+++3(PO4)2O(OH) |
| 3.189(27.96) | 100 | 3.132(28.47) | 100 | 2.058(43.96) | 80 | Schlemaite | (Cu,[ ])6(Pb,Bi)Se4 |
| 3.190(27.95) | 100 | 2.070(43.69) | 100 | 3.500(25.43) | 100 | Banalsite | BaNa2Al4Si4O16 |
| 3.190(27.95) | 100 | 2.050(44.14) | 80 | 2.000(45.30) | 80 | Fluocerite-(Ce) | (Ce,La)F3 |
| 3.190(27.95) | 100 | 2.460(36.49) | 90 | 2.220(40.60) | 90 | Redledgeite | BaTi6Cr+++2O16•(H2O) |
| 3.190(27.95) | 100 | 3.090(28.87) | 91 | 6.920(12.78) | 75 | Kuzmenkoite-Zn | K2Zn(Ti,Nb)4(Si4O12)2(OH,O)4•6-8(H2O) |
| 3.190(27.95) | 100 | 2.640(33.93) | 80 | 6.640(13.32) | 50 | Fairchildite | K2Ca(CO3)2 |
| 3.190(27.95) | 100 | 4.610(19.24) | 67 | 3.610(24.64) | 40 | Cancrinite | Na6Ca2Al6Si6O24(CO3)2 |
| 3.190(27.95) | 100 | 2.490(36.04) | 93 | 2.940(30.38) | 90 | Watatsumiite | Na2KMn2LiV2Si8O24 |
| 3.190(27.95) | 100 | 3.090(28.87) | 100 | 6.910(12.80) | 100 | Parakuzmenkoite-Fe | (K,Ba)2Fe(Ti,Nb)4(Si4O12)2(O,OH)4•7(H2O) |
| 3.190(27.95) | 100 | 2.220(40.60) | 90 | 2.460(36.49) | 90 | Redledgeite | BaTi6Cr+++2O16•(H2O) |
| 3.190(27.95) | 100 | 2.000(45.30) | 80 | 2.050(44.14) | 80 | Fluocerite-(Ce) | (Ce,La)F3 |
| 3.190(27.95) | 100 | 2.890(30.92) | 100 | 4.080(21.76) | 90 | Sogdianite | (K,Na)2(Li,Fe+++,Al)3ZrSi12O30 |
| 3.190(27.95) | 100 | 1.961(46.26) | 70 | 1.653(55.55) | 50 | Bambollaite | Cu(Se,Te)2 |
| 3.190(27.95) | 100 | 1.655(55.48) | 55 | 2.730(32.78) | 40 | Chrombismite | Bi16CrO27 |
| 3.190(27.95) | 100 | 3.020(29.55) | 100 | 2.630(34.06) | 100 | Isokite | CaMg(PO4)F |
| 3.190(27.95) | 100 | 1.048(94.61) | 70 | 2.070(43.69) | 60 | Fluocerite-(La) | (La,Ce)F3 |
| 3.190(27.95) | 100 | 3.340(26.67) | 73 | 4.370(20.30) | 67 | Mutnovskite | Pb2AsS3(I,Cl,Br) |
| 3.190(27.95) | 100 | 3.650(24.37) | 90 | 1.989(45.57) | 70 | Guanajuatite | Bi2Se3 |
| 3.190(27.95) | 100 | 4.140(21.45) | 60 | 2.361(38.08) | 40 | Olmiite | CaMn[SiO3(OH)](OH) |
| 3.190(27.95) | 100 | 4.390(20.21) | 65 | 2.677(33.45) | 60 | Onoratoite | Sb8O11Cl2 |
| 3.190(27.95) | 100 | 2.163(41.72) | 100 | 1.516(61.07) | 100 | Babefphite | BaBe(PO4)(F,O) |
| 3.191(27.94) | 100 | 2.695(33.22) | 18 | 1.947(46.61) | 18 | Kusachiite | CuBi2O4 |
| 3.191(27.94) | 100 | 1.947(46.61) | 18 | 2.695(33.22) | 18 | Kusachiite | CuBi2O4 |
| 3.191(27.94) | 100 | 3.381(26.34) | 85 | 3.615(24.61) | 40 | Frondelite | Mn++Fe+++4(PO4)3(OH)5 |
| 3.192(27.93) | 100 | 3.074(29.02) | 100 | 2.706(33.08) | 40 | Gabrielsonite | PbFe++(AsO4)(OH) |
| 3.193(27.92) | 100 | 3.370(26.43) | 90 | 11.040(8.00) | 90 | Sedovite | U(MoO4)2 |
| 3.193(27.92) | 100 | 2.972(30.04) | 92 | 2.498(35.92) | 62 | Schneebergite | Bi(Co,Ni)2(AsO4)2(OH,H2O)2 |
| 3.193(27.92) | 100 | 11.040(8.00) | 90 | 3.370(26.43) | 90 | Sedovite | U(MoO4)2 |
| 3.193(27.92) | 100 | 3.453(25.78) | 100 | 3.643(24.41) | 90 | Jorgensenite | Na2(Sr,Ba)14Na2Al12F64(OH,F) |
| 3.194(27.91) | 100 | 6.390(13.85) | 100 | 3.050(29.26) | 80 | Lepkhenelmite-Zn | Ba2Zn(Ti,Nb)4(Si4O12)2(O,OH)4•7(H2O) |
| 3.194(27.91) | 100 | 3.240(27.51) | 100 | 2.156(41.87) | 80 | Bahianite | Al5Sb+++++3O14(OH)2 |
| 3.194(27.91) | 100 | 3.212(27.75) | 95 | 2.595(34.53) | 90 | Gwihabaite | (NH4,K)(NO3) |
| 3.195(27.90) | 100 | 2.990(29.86) | 70 | 2.882(31.00) | 70 | Zimbabweite | Na(Pb,Na,K)2(Ta,Nb,Ti)4As+++4O18 |
| 3.195(27.90) | 100 | 6.394(13.84) | 63 | 2.541(35.29) | 38 | Arsenolite | As2O3 |
| 3.195(27.90) | 100 | 5.903(15.00) | 64 | 3.365(26.47) | 56 | Clarkeite | (Na,Ca,Pb)(UO2)O(OH)•0-1(H2O) |