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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 |
| 3.176(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 | 1.952(46.48) | 100 | 1.671(54.90) | 50 | Mgriite | (Cu,Fe)3AsSe3 |
| 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 | 7.120(12.42) | 90 | 7.080(12.49) | 90 | Merlinoite | (K,Ca,Na,Ba)7Si23Al9O64•23(H2O) |
| 3.180(28.04) | 100 | 7.080(12.49) | 90 | 7.120(12.42) | 90 | Merlinoite | (K,Ca,Na,Ba)7Si23Al9O64•23(H2O) |
| 3.180(28.04) | 100 | 4.020(22.09) | 90 | 3.800(23.39) | 80 | Orthoclase | KAlSi3O8 |
| 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 | 3.210(27.77) | 70 | 3.760(23.64) | 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 | 1.380(67.86) | 75 | 3.350(26.59) | 65 | Kyanite | Al2SiO5 = Al[6]Al[6]OSiO4 |
| 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 | 1.908(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 | 3.140(28.40) | 68 | 4.470(19.85) | 57 | Munakataite | Pb2Cu2(Se++++O3)(SO4)(OH)4 |
| 3.180(28.04) | 100 | 2.896(30.85) | 60 | 4.030(22.04) | 10 | Donpeacorite | (Mn,Mg)MgSi2O6 |
| 3.181(28.03) | 100 | 6.050(14.63) | 30 | 5.910(14.98) | 20 | Sassolite | H3BO3 |
| 3.181(28.03) | 100 | 2.858(31.27) | 58 | 1.714(53.41) | 32 | Bobdownsite | Ca9Mg(PO3F)(PO4)6 |
| 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 | 3.484(25.55) | 71 | 9.077(9.74) | 60 | Direnzoite | NaK6MgCa2(Al13Si47O120)•36H2O |
| 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 | 8.560(10.33) | 75 | 3.301(26.99) | 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 | 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 | 3.100(28.77) | 96 | 6.940(12.74) | 61 | Lemmleinite-K | NaK2(Ti,Nb)2Si4O12(O,OH)2•2(H2O) |
| 3.186(27.98) | 100 | 3.301(26.99) | 75 | 8.560(10.33) | 75 | Richterite | Na(CaNa)(Mg,Fe++)5[Si8O22](OH)2 |
| 3.187(27.97) | 100 | 2.788(32.08) | 90 | 6.204(14.26) | 80 | IMA2008-054 | NaCaMn2(PO4)[PO3(OH)]2 |
| 3.187(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 |
| 3.188(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 | 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 | 2.890(30.92) | 100 | 4.080(21.76) | 90 | Sogdianite | (K,Na)2(Li,Fe+++,Al)3ZrSi12O30 |
| 3.190(27.95) | 100 | 2.460(36.49) | 90 | 2.220(40.60) | 90 | Redledgeite | BaTi6Cr+++2O16•(H2O) |
| 3.190(27.95) | 100 | 3.020(29.55) | 100 | 2.630(34.06) | 100 | Isokite | CaMg(PO4)F |
| 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 | 2.163(41.72) | 100 | 1.516(61.07) | 100 | Babefphite | BaBe(PO4)(F,O) |
| 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 | 2.070(43.69) | 100 | 3.500(25.43) | 100 | Banalsite | BaNa2Al4Si4O16 |
| 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 | 4.140(21.45) | 60 | 2.361(38.08) | 40 | Olmiite | CaMn[SiO3(OH)](OH) |
| 3.190(27.95) | 100 | 3.650(24.37) | 90 | 1.989(45.57) | 70 | Guanajuatite | Bi2Se3 |
| 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 | 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 | 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 | 3.090(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 | 4.390(20.21) | 65 | 2.677(33.45) | 60 | Onoratoite | Sb8O11Cl2 |
| 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 | 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 | 3.370(26.43) | 90 | 11.040(8.00) | 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) |
| 3.193(27.92) | 100 | 11.040(8.00) | 90 | 3.370(26.43) | 90 | Sedovite | U(MoO4)2 |
| 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 | 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 | 3.212(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 | 2.882(31.00) | 70 | 2.990(29.86) | 70 | Zimbabweite | Na(Pb,Na,K)2(Ta,Nb,Ti)4As+++4O18 |
| 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) |
| 3.195(27.90) | 100 | 6.394(13.84) | 63 | 2.541(35.29) | 38 | Arsenolite | As2O3 |
| 3.196(27.89) | 100 | 4.842(18.31) | 50 | 3.573(24.90) | 50 | Rockbridgeite | (Fe++,Mn)Fe+++4(PO4)3(OH)5 |
| 3.196(27.89) | 100 | 3.573(24.90) | 50 | 4.842(18.31) | 50 | Rockbridgeite | (Fe++,Mn)Fe+++4(PO4)3(OH)5 |
| 3.196(27.89) | 100 | 3.160(28.22) | 97 | 2.972(30.04) | 81 | Versiliaite | Fe++4Fe+++8Sb+++12O23S2 |
| 3.196(27.89) | 100 | 2.980(29.96) | 72 | 1.702(53.82) | 57 | Nickelschneebergite | Bi(Ni,Co)2(AsO4)2(OH,H2O)2 |
| 3.198(27.87) | 100 | 1.875(48.51) | 100 | 2.041(44.35) | 81 | Palladseite | Pd17Se15 |
| 3.198(27.87) | 100 | 3.307(26.94) | 80 | 2.960(30.17) | 80 | Barysilite | Pb8Mn(Si2O7)3 |
| 3.198(27.87) | 100 | 2.960(30.17) | 80 | 3.307(26.94) | 80 | Barysilite | Pb8Mn(Si2O7)3 |
| 3.198(27.87) | 100 | 4.162(21.33) | 44 | 3.468(25.67) | 36 | Lisetite | Na2CaAl4Si4O16 |
| 3.200(27.86) | 100 | 3.240(27.51) | 100 | 3.030(29.45) | 9 | Keiviite-(Yb) | (Yb,Y)2Si2O7 |
| 3.200(27.86) | 100 | 3.630(24.50) | 100 | 2.590(34.60) | 80 | Magbasite | KBa(Al,Sc)(Mg,Fe++)6Si6O20F2 |
| 3.200(27.86) | 100 | 3.180(28.04) | 75 | 4.040(21.98) | 60 | Anorthite | CaAl2Si2O8 |
| 3.200(27.86) | 100 | 3.010(29.65) | 90 | 2.590(34.60) | 60 | Samsonite | Ag4MnSb2S6 |
| 3.200(27.86) | 100 | 2.880(31.03) | 90 | 3.650(24.37) | 40 | Haradaite | Sr4V++++4Si8O28 |
| 3.200(27.86) | 100 | 2.737(32.69) | 80 | 4.280(20.74) | 70 | Reddingite | Mn++3(PO4)2•3(H2O) |
| 3.200(27.86) | 100 | 2.700(33.15) | 50 | 3.050(29.26) | 18 | Manganolangbeinite | K2Mn2(SO4)3 |
| 3.200(27.86) | 100 | 2.580(34.74) | 90 | 2.929(30.49) | 80 | Carminite | PbFe+++2(AsO4)2(OH)2 |
| 3.200(27.86) | 100 | 3.519(25.29) | 80 | 4.879(18.17) | 70 | Bergslagite | CaBe(AsO4)(OH) |
| 3.200(27.86) | 100 | 1.877(48.46) | 54 | 2.043(44.30) | 38 | Indite | Fe++In2S4 |
| 3.200(27.86) | 100 | 3.740(23.77) | 80 | 4.020(22.09) | 80 | Oligoclase | (Na,Ca)(Si,Al)4O8 |
| 3.200(27.86) | 100 | 9.500(9.30) | 90 | 6.300(14.05) | 90 | Satimolite | KNa2Al4(B2O5)3Cl3•13(H2O) |
| 3.200(27.86) | 100 | 7.140(12.39) | 70 | 5.050(17.55) | 70 | Priderite | (K,Ba)(Ti,Fe+++)8O16 |
| 3.200(27.86) | 100 | 4.020(22.09) | 80 | 3.740(23.77) | 80 | Oligoclase | (Na,Ca)(Si,Al)4O8 |
| 3.200(27.86) | 100 | 4.030(22.04) | 80 | 3.750(23.71) | 80 | Bytownite | (Ca,Na)(Si,Al)4O8 |
| 3.200(27.86) | 100 | 6.300(14.05) | 90 | 9.500(9.30) | 90 | Satimolite | KNa2Al4(B2O5)3Cl3•13(H2O) |
| 3.200(27.86) | 100 | 5.050(17.55) | 70 | 7.140(12.39) | 70 | Priderite | (K,Ba)(Ti,Fe+++)8O16 |
| 3.200(27.86) | 100 | 3.750(23.71) | 80 | 4.030(22.04) | 80 | Bytownite | (Ca,Na)(Si,Al)4O8 |
| 3.201(27.85) | 100 | 1.586(58.11) | 80 | 2.473(36.30) | 70 | Mannardite | BaTi6V+++2O16•(H2O) |
| 3.201(27.85) | 100 | 4.116(21.57) | 100 | 7.110(12.44) | 100 | Gobbinsite | (Na2,Ca)2K2Al6Si10O32•12(H2O) |
| 3.201(27.85) | 100 | 7.110(12.44) | 100 | 4.116(21.57) | 100 | Gobbinsite | (Na2,Ca)2K2Al6Si10O32•12(H2O) |