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X-Ray Diffraction Table |
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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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 5.940(14.90) | 200 | 5.060(17.51) | 100 | 5.120(17.31) | 60 | Hedenbergite | CaFe++Si2O6 |
| 5.940(14.90) | 200 | 8.632(10.24) | 170 | 5.696(15.54) | 168 | Voronkovite | Na15(Na,Ca,Ce)3(Mn,Ca)3Fe3Zr3Si26O72(OH,O)4Cl·H2O |
| 5.940(14.90) | 200 | 10.840(8.15) | 160 | 11.780(7.50) | 120 | Demesmaekerite | Pb2Cu5(UO2)2(SeO3)6(OH)6·2(H2O) |
| 5.940(14.90) | 200 | 3.640(24.43) | 120 | 3.100(28.77) | 60 | Goldfieldite | Cu12(Te,Sb,As)4S13 |
| 5.940(14.90) | 200 | 8.320(10.62) | 100 | 4.986(17.77) | 80 | Ferrowodginite | Fe++SnTa2O8 |
| 5.940(14.90) | 200 | 6.280(14.09) | 200 | 6.660(13.28) | 200 | Magniotriplite | (Mg,Fe++,Mn)2(PO4)F |
| 5.940(14.90) | 200 | 4.188(21.20) | 180 | 4.224(21.01) | 160 | Sorosite | Cu(Sn,Sb) |
| 5.940(14.90) | 200 | 3.080(28.97) | 140 | 7.160(12.35) | 120 | Kolicite | Mn7Zn4(AsO4)2(SiO4)2(OH)8 |
| 5.940(14.90) | 200 | 6.120(14.46) | 180 | 3.200(27.86) | 160 | Natroniobite | NaNbO3 |
| 5.940(14.90) | 200 | 3.660(24.30) | 140 | 5.740(15.42) | 140 | Seidozerite | (Na,Ca)2(Zr,Ti,Mn)2Si2O7(O,F)2 |
| 5.940(14.90) | 200 | 4.360(20.35) | 90 | 11.500(7.68) | 70 | Crandallite | CaAl3(PO4)2(OH)5·(H2O) |
| 5.940(14.90) | 200 | 9.820(9.00) | 150 | 4.462(19.88) | 102 | Huangite | Ca0.5Al3(SO4)2(OH)6 |
| 5.940(14.90) | 200 | 5.200(17.04) | 180 | 6.160(14.37) | 50 | Nahcolite | NaHCO3 |
| 5.940(14.90) | 200 | 6.022(14.70) | 160 | 6.750(13.11) | 120 | Rankamaite | (Na,K,Pb,Li)3(Ta,Nb,Al)11(O,OH)30 |
| 5.940(14.90) | 200 | 3.640(24.43) | 100 | 3.100(28.77) | 80 | Zirconolite-3O | (Ca,Fe,Y,Th)2Fe(Ti,Nb)3Zr2O7 |
| 5.940(14.90) | 200 | 15.700(5.62) | 180 | 7.740(11.42) | 160 | Yavapaiite | KFe+++(SO4)2 |
| 5.940(14.90) | 200 | 7.040(12.56) | 160 | 7.660(11.54) | 160 | Wollastonite-2M | CaSiO3 |
| 5.940(14.90) | 200 | 5.878(15.06) | 190 | 5.852(15.13) | 100 | Okanoganite-(Y) | (Na,Ca)3(Y,Ce)12Si6B2O27F14 |
| 5.940(14.90) | 200 | 11.460(7.71) | 160 | 7.020(12.60) | 120 | Plumbogummite | PbAl3(PO4)2(OH)5·(H2O) |
| 5.942(14.90) | 200 | 3.100(28.77) | 160 | 3.638(24.45) | 140 | Ingersonite | Ca3Mn++Sb+++++4O14 |
| 5.942(14.90) | 200 | 5.030(17.62) | 160 | 5.116(17.32) | 160 | Dorrite | Ca2Mg2Fe+++4(Al,Fe+++)4Si2O20 |
| 5.942(14.90) | 200 | 4.990(17.76) | 150 | 6.994(12.65) | 80 | Sicklerite | Li(Mn++,Fe+++)PO4 |
| 5.942(14.90) | 200 | 6.140(14.41) | 50 | 7.328(12.07) | 42 | Samarskite-(Yb) | (Yb,Y,REE,U,Th,Ca,Fe++) (Nb,Ta,Ti)O4 |
| 5.942(14.90) | 200 | 7.166(12.34) | 18 | 7.302(12.11) | 18 | Weissbergite | TlSbS2 |
| 5.942(14.90) | 200 | 5.618(15.76) | 170 | 5.714(15.49) | 116 | Stanekite | Fe+++(Mn,Fe++,Mg)(PO4)O |
| 5.944(14.89) | 200 | 23.780(3.71) | 108 | 3.662(24.29) | 100 | Cupropearceite | [Cu6As2S7][Ag9CuS4] |
| 5.944(14.89) | 200 | 5.894(15.02) | 152 | 5.848(15.14) | 132 | Hundholmenite-(Y) | (Y,REE,Ca,Na)15(Al,Fe+++)CaxAs+++1-x(Si,As+++++)Si6B3(O,F)48 |
| 5.944(14.89) | 200 | 6.590(13.42) | 196 | 5.462(16.21) | 126 | Celestine | SrSO4 |
| 5.946(14.89) | 200 | 7.956(11.11) | 194 | 9.300(9.50) | 132 | Heulandite-Ba | (Ba,Ca,K,Na,Sr)5Al9Si27O72·22(H2O) |
| 5.946(14.89) | 200 | 3.640(24.43) | 106 | 3.104(28.74) | 90 | Calciobetafite | Ca2(Ti,Nb)2(O,OH)7 |
| 5.948(14.88) | 200 | 6.060(14.61) | 200 | 9.642(9.16) | 180 | Vigezzite | (Ca,Ce)(Nb,Ta,Ti)2O6 |
| 5.950(14.88) | 200 | 5.504(16.09) | 60 | 7.980(11.08) | 60 | Philolithite | Pb12O6Mn(Mg,Mn)2(Mn,Mg)4(SO4)(CO3)4Cl4(OH)12 |
| 5.950(14.88) | 200 | 6.354(13.93) | 160 | 3.674(24.20) | 140 | Muckeite | CuNiBiS3 |
| 5.950(14.88) | 200 | 6.048(14.63) | 160 | 6.212(14.25) | 70 | Aeschynite-(Ce) | (Ce,Ca,Fe)(Ti,Nb)2(O,OH)6 |
| 5.952(14.87) | 200 | 5.932(14.92) | 190 | 7.288(12.13) | 92 | Titanowodginite | (Mn++,Fe++)(Ti,Sn)(Ta,Nb)2O8 |
| 5.952(14.87) | 200 | 5.932(14.92) | 190 | 7.288(12.13) | 92 | IMA2000-026 | (Mn,Li)4(Ta,Sn)4(Ta,Nb)8O32 |
| 5.954(14.87) | 200 | 5.706(15.52) | 176 | 8.648(10.22) | 136 | Labyrinthite | (Na,K,Sr)35Ca12Fe3Zr6TiSi51O144(O,OH,H2O)9Cl3 |
| 5.954(14.87) | 200 | 7.350(12.03) | 80 | 3.452(25.79) | 32 | Columbite-(Fe) | Fe++Nb2O6 |
| 5.956(14.86) | 200 | 7.326(12.07) | 140 | 4.678(18.95) | 130 | Marumoite | Pb32As40S92 |
| 5.958(14.86) | 200 | 6.760(13.09) | 200 | 12.860(6.87) | 100 | Phoenicochroite | Pb2(CrO4)O |
| 5.960(14.85) | 200 | 9.640(9.17) | 180 | 11.820(7.47) | 140 | Olivenite | Cu2AsO4(OH) |
| 5.960(14.85) | 200 | 3.492(25.49) | 154 | 4.938(17.95) | 110 | Greigite | Fe++Fe+++2S4 |
| 5.960(14.85) | 200 | 3.126(28.53) | 160 | 3.672(24.22) | 160 | Microlite | (Na,Ca)2Ta2O6(O,OH,F) |
| 5.960(14.85) | 200 | 3.640(24.43) | 100 | 3.500(25.43) | 60 | Zirconolite-3T | CaZrTi2O7 |
| 5.960(14.85) | 200 | 4.566(19.42) | 160 | 3.818(23.28) | 140 | Walthierite | Ba0.5Al3(SO4)2(OH)6 |
| 5.960(14.85) | 200 | 11.540(7.65) | 180 | 7.060(12.53) | 120 | Lusungite | (Sr,Pb)Fe+++3(PO4)2(OH)5·(H2O) |
| 5.960(14.85) | 200 | 23.000(3.84) | 180 | 5.712(15.50) | 160 | Khomyakovite | Na12Sr3Ca6Fe3Zr3W(Si25O73)(O,OH,H2O)3 (OH,Cl)2 |
| 5.960(14.85) | 200 | 7.380(11.98) | 160 | 7.480(11.82) | 160 | Koragoite | (Mn++,Fe+++)3(Nb,Ta,Ti)2(Nb,Mn)2(W,Ta)2O20 |
| 5.960(14.85) | 200 | 4.530(19.58) | 174 | 9.060(9.75) | 172 | Adranosite | (NH4)4NaAl2(SO4)4Cl(OH)2 |
| 5.960(14.85) | 200 | 5.840(15.16) | 180 | 6.260(14.14) | 80 | Samarskite-(Y) | (Y,Fe+++,U)(Nb,Ta)5O4 |
| 5.960(14.85) | 200 | 7.240(12.21) | 160 | 6.980(12.67) | 120 | Christite | TlHgAsS3 |
| 5.960(14.85) | 200 | 23.000(3.84) | 180 | 5.712(15.50) | 160 | Manganokhomyakovite | Na12Sr3Ca6Mn3Zr3W(Si25O73)(O,OH,H2O)3(OH,Cl)2 |
| 5.960(14.85) | 200 | 2.800(31.94) | 160 | 4.260(20.83) | 140 | Omphacite | (Ca,Na)(Mg,Fe++,Al)Si2O6 |
| 5.960(14.85) | 200 | 7.140(12.39) | 160 | 5.060(17.51) | 60 | Zirkelite | (Ca,Th,Ce)Zr(Ti,Nb)2O7 |
| 5.960(14.85) | 200 | 6.380(13.87) | 180 | 4.300(20.64) | 140 | Jarlite | Na(Sr,Na,[ ])7(Mg,[ ])Al6F32(OH,H2O)2 |
| 5.960(14.85) | 200 | 5.540(15.98) | 160 | 3.284(27.13) | 140 | Lorettoite | Pb7O6Cl2 |
| 5.960(14.85) | 200 | 11.400(7.75) | 180 | 4.876(18.18) | 160 | Inaglyite | PbCu3(Ir,Pt)8S16 |
| 5.960(14.85) | 200 | 7.300(12.11) | 64 | 2.918(30.61) | 58 | Ixiolite | (Ta,Nb,Sn,Mn++,Fe++)O2 |
| 5.962(14.85) | 200 | 5.474(16.18) | 160 | 6.200(14.27) | 120 | Sundiusite | Pb10(SO4)Cl2O8 |
| 5.962(14.85) | 200 | 7.020(12.60) | 180 | 11.460(7.71) | 180 | Hidalgoite | PbAl3(AsO4)(SO4)(OH)6 |
| 5.964(14.84) | 200 | 3.666(24.26) | 160 | 3.124(28.55) | 140 | Jixianite | Pb(W,Fe+++)2(O,OH)7 |
| 5.966(14.84) | 200 | 5.404(16.39) | 164 | 13.262(6.66) | 140 | Thermessaite | K2[AlF3SO4] |
| 5.966(14.84) | 200 | 5.632(15.72) | 156 | 3.978(22.33) | 150 | Parkinsonite | (Pb,Mo,[ ])8O8Cl2 |
| 5.966(14.84) | 200 | 4.880(18.16) | 100 | 6.540(13.53) | 100 | Rhodizite | (K,Cs)Al4Be4(B,Be)12O28 |
| 5.966(14.84) | 200 | 6.316(14.01) | 180 | 5.676(15.60) | 130 | Serandite | Na(Mn++,Ca)2Si3O8(OH) |
| 5.966(14.84) | 200 | 7.006(12.62) | 40 | 5.250(16.87) | 38 | Vastmanlandite-(Ce) | (Ce,La)3CaAl2Mg2[Si2O7][SiO4]3F(OH)2 |
| 5.968(14.83) | 200 | 6.346(13.94) | 180 | 4.968(17.84) | 160 | Lapeyreite | Cu3O[AsO3(OH)]2·H2O |
| 5.968(14.83) | 200 | 5.702(15.53) | 160 | 6.234(14.20) | 132 | Hydroxylwagnerite | Mg2(PO4)(OH) |
| 5.970(14.83) | 200 | 3.690(24.10) | 80 | 5.096(17.39) | 70 | Stenhuggarite | CaFe+++(As+++O2)(As+++Sb+++O5) |
| 5.970(14.83) | 200 | 23.944(3.69) | 200 | 7.080(12.49) | 120 | Tlapallite | H6(Ca,Pb)2Cu3(SO4)(Te++++O3)4(Te++++++O6) |
| 5.970(14.83) | 200 | 6.594(13.42) | 130 | 6.246(14.17) | 126 | Wagnerite | (Mg,Fe++)2(PO4)F |
| 5.972(14.82) | 200 | 6.200(14.27) | 200 | 3.822(23.25) | 100 | Gotzenite | (Ca,Na)3(Ti,Al)Si2O7(F,OH)2 |
| 5.972(14.82) | 200 | 3.660(24.30) | 164 | 11.940(7.40) | 130 | Chlorbartonite | K6Fe24S26(Cl,S) |
| 5.974(14.82) | 200 | 8.690(10.17) | 162 | 5.722(15.47) | 140 | Rastsvetaevite | Na27K8Ca12Fe3Zr6Si52O144(O,OH,H2O)6Cl2 |
| 5.974(14.82) | 200 | 7.300(12.11) | 164 | 5.880(15.05) | 100 | Lithiowodginite | LiTa3O8 |
| 5.974(14.82) | 200 | 8.780(10.07) | 200 | 5.700(15.53) | 158 | Aqualite | (H3O)8(Na,K,Sr)5Ca6Zr3Si26O66(OH)9Cl |
| 5.976(14.81) | 200 | 8.260(10.70) | 80 | 8.640(10.23) | 80 | Mattheddleite | Pb20(SiO4)7(SO4)4Cl4 |
| 5.976(14.81) | 200 | 6.808(12.99) | 172 | 3.746(23.73) | 110 | Paratellurite | TeO2 |
| 5.976(14.81) | 200 | 6.136(14.42) | 170 | 6.768(13.07) | 120 | Vanadinite | Pb5(VO4)3Cl |
| 5.978(14.81) | 200 | 3.122(28.57) | 80 | 3.660(24.30) | 80 | Stibiobetafite | (Sb+++,Ca)2(Ti,Nb,Ta)2(O,OH)7 |
| 5.978(14.81) | 200 | 6.068(14.59) | 182 | 10.194(8.67) | 160 | Margarosanite | Pb(Ca,Mn++)2Si3O9 |
| 5.978(14.81) | 200 | 8.100(10.91) | 100 | 9.620(9.19) | 100 | Carbocernaite | (Ca,Na)(Sr,Ce,Ba)(CO3)2 |
| 5.978(14.81) | 200 | 8.292(10.66) | 200 | 4.990(17.76) | 180 | Routhierite | TlCu(Hg,Zn)2(As,Sb)2S3 |
| 5.980(14.80) | 200 | 4.226(21.00) | 140 | 4.882(18.16) | 100 | Londonite | CsAl4Be4(B,Be)12O28 |
| 5.980(14.80) | 200 | 4.180(21.24) | 180 | 5.820(15.21) | 140 | Calaverite | AuTe2 |
| 5.980(14.80) | 200 | 7.380(11.98) | 180 | 4.820(18.39) | 140 | Tantalite-(Mn) | MnTa2O6 |
| 5.980(14.80) | 200 | 5.900(15.00) | 80 | 7.320(12.08) | 80 | Euxenite-(Y) | (Y,Ca,Ce)(Nb,Ta,Ti)2O6 |
| 5.980(14.80) | 200 | 7.100(12.46) | 180 | 3.538(25.15) | 120 | Arsenocrandallite | (Ca,Sr)Al3[(As,P)O4]2(OH)5·(H2O) |
| 5.980(14.80) | 200 | 6.940(12.74) | 140 | 7.460(11.85) | 140 | Livingstonite | HgSb4S8 |
| 5.980(14.80) | 200 | 5.400(16.40) | 40 | 13.160(6.71) | 40 | Walstromite | BaCa2Si3O9 |
| 5.980(14.80) | 200 | 5.380(16.46) | 80 | 3.600(24.71) | 60 | Romarchite | SnO |
| 5.980(14.80) | 200 | 4.186(21.21) | 180 | 4.700(18.87) | 180 | Liveingite | Pb9As13S28 |
| 5.980(14.80) | 200 | 3.800(23.39) | 100 | 2.960(30.17) | 80 | Uranopolycrase | (U,Y)(Ti,Nb,Ta)2O6 |
| 5.980(14.80) | 200 | 6.180(14.32) | 200 | 6.800(13.01) | 200 | Epididymite | NaBeSi3O7(OH) |
| 5.980(14.80) | 200 | 3.598(24.72) | 180 | 11.080(7.97) | 160 | Rasvumite | KFe2S3 |
| 5.980(14.80) | 200 | 6.440(13.74) | 160 | 6.700(13.20) | 120 | Roselite | Ca2(Co,Mg)(AsO4)2·2(H2O) |
| 5.980(14.80) | 200 | 3.500(25.43) | 180 | 4.942(17.93) | 160 | Ferrorhodsite | (Fe,Cu)(Rh,Ir,Pt)2S4 |
| 5.980(14.80) | 200 | 6.160(14.37) | 180 | 6.480(13.65) | 140 | Trigonite | Pb3Mn(As+++O3)2(As+++O2OH) |
| 5.980(14.80) | 200 | 3.472(25.64) | 120 | 4.280(20.74) | 80 | Kashinite | (Ir,Rh)2S3 |
| 5.980(14.80) | 200 | 4.592(19.31) | 190 | 5.926(14.94) | 188 | Georgbokiite | Cu5O2(SeO3)2Cl2 |