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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 |
| 3.031(29.44) | 100 | 3.032(29.43) | 100 | 3.211(27.76) | 47 | Fluorarrojadite-(BaFe) | (Ba,K,Pb)Na3(Ca,Sr)(Fe++,Mg,Mn)14Al(PO4)11(PO3OH)(F,OH)2 |
| 3.032(29.43) | 100 | 3.031(29.44) | 100 | 3.211(27.76) | 48 | Fluorarrojadite-(BaFe) | (Ba,K,Pb)Na3(Ca,Sr)(Fe++,Mg,Mn)14Al(PO4)11(PO3OH)(F,OH)2 |
| 3.032(29.43) | 100 | 3.510(25.35) | 100 | 8.790(10.05) | 80 | Piretite | Ca(UO2)3(SeO3)2(OH)4-4(H2O) |
| 3.032(29.43) | 100 | 3.619(24.58) | 80 | 2.595(34.53) | 60 | Parafransoletite | Ca3Be2(PO4)2(PO3,OH)2•4(H2O) |
| 3.032(29.43) | 100 | 2.703(33.11) | 68 | 3.211(27.76) | 47 | Fluorarrojadite-(BaNa) | BaFe++Na2Ca(Fe++,Mn,Mg)13Al(PO4)11(PO3OH)(F,OH)2 |
| 3.034(29.41) | 100 | 2.715(32.96) | 80 | 2.585(34.67) | 30 | Xenophyllite | Na4Fe7(PO4)6 |
| 3.035(29.40) | 100 | 2.285(39.40) | 18 | 2.095(43.14) | 18 | Calcite | CaCO3 |
| 3.035(29.40) | 100 | 2.095(43.14) | 18 | 2.285(39.40) | 18 | Calcite | CaCO3 |
| 3.036(29.39) | 100 | 3.015(29.60) | 70 | 2.894(30.87) | 60 | Natron | Na2CO3•10(H2O) |
| 3.036(29.39) | 100 | 3.343(26.64) | 60 | 7.223(12.24) | 50 | Choloalite | CuPb(Te++++O3)2 |
| 3.036(29.39) | 100 | 1.757(52.00) | 80 | 5.290(16.75) | 70 | Zajacite-(Ce) | Na(REExCa1-x)(REEyCa1-y)F6 where (x ne y) |
| 3.037(29.39) | 100 | 3.076(29.00) | 90 | 3.561(24.98) | 90 | Reedmergnerite | NaBSi3O8 |
| 3.037(29.39) | 100 | 3.561(24.98) | 90 | 3.076(29.00) | 90 | Reedmergnerite | NaBSi3O8 |
| 3.038(29.38) | 100 | 2.979(29.97) | 75 | 2.543(35.26) | 75 | Jervisite | (Na,Ca,Fe++)(Sc,Mg,Fe++)Si2O6 |
| 3.038(29.38) | 100 | 4.835(18.33) | 91 | 2.964(30.13) | 91 | Rynersonite | Ca(Ta,Nb)2O6 |
| 3.038(29.38) | 100 | 5.850(15.13) | 90 | 3.590(24.78) | 40 | Gallobeudantite | PbGa3[(AsO4),(SO4)]2(OH)6 |
| 3.038(29.38) | 100 | 2.964(30.13) | 91 | 4.835(18.33) | 91 | Rynersonite | Ca(Ta,Nb)2O6 |
| 3.038(29.38) | 100 | 2.543(35.26) | 75 | 2.979(29.97) | 75 | Jervisite | (Na,Ca,Fe++)(Sc,Mg,Fe++)Si2O6 |
| 3.039(29.37) | 100 | 5.320(16.65) | 80 | 2.723(32.86) | 60 | Fianelite | Mn++2V+++++(V+++++,As+++++)O7•2(H2O) |
| 3.039(29.37) | 100 | 2.564(34.97) | 47 | 2.619(34.21) | 40 | Davisite | Ca(Sc,Ti+++,Mg,Ti++++)AlSiO6 |
| 3.040(29.36) | 100 | 1.840(49.50) | 100 | 1.587(58.07) | 100 | Cesstibtantite | (Cs,Na)SbTa4O12 |
| 3.040(29.36) | 100 | 2.820(31.70) | 80 | 2.140(42.19) | 80 | Grayite | (Th,Pb,Ca)PO4•(H2O) |
| 3.040(29.36) | 100 | 9.600(9.20) | 100 | 1.710(53.55) | 80 | Sampleite | NaCaCu5(PO4)4Cl•5(H2O) |
| 3.040(29.36) | 100 | 4.360(20.35) | 100 | 2.060(43.92) | 100 | Zemkorite | (Na,K)2Ca(CO3)2 |
| 3.040(29.36) | 100 | 2.850(31.36) | 100 | 2.020(44.83) | 100 | Marianoite | Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4 |
| 3.040(29.36) | 100 | 1.870(48.65) | 100 | 1.590(57.95) | 50 | Arsenosulvanite | Cu3(As,V)S4 |
| 3.040(29.36) | 100 | 4.290(20.69) | 90 | 3.170(28.13) | 80 | Cornetite | Cu3(PO4)(OH)3 |
| 3.040(29.36) | 100 | 3.350(26.59) | 89 | 5.410(16.37) | 66 | Studenitsite | NaCa2[B9O14(OH)4]•2(H2O) |
| 3.040(29.36) | 100 | 3.180(28.04) | 70 | 2.976(3-) | 50 | Oboyerite | Pb6H6(Te++++O3)3(Te++++++O6)2•2(H2O) |
| 3.040(29.36) | 100 | 3.172(28.11) | 65 | 6.180(14.32) | 50 | Parabariomicrolite | BaTa4O10(OH)2•2H20 |
| 3.040(29.36) | 100 | 3.170(28.13) | 100 | 3.290(27.08) | 70 | Sarkinite | Mn++2(AsO4)(OH) |
| 3.040(29.36) | 100 | 2.924(30.55) | 83 | 7.625(11.60) | 78 | Mrazekite | Bi+++2Cu++3(PO4)2O2(OH)2•2(H2O) |
| 3.040(29.36) | 100 | 2.720(32.90) | 80 | 3.680(24.16) | 70 | Quenselite | PbMn+++O2(OH) |
| 3.040(29.36) | 100 | 2.682(33.38) | 90 | 2.713(32.99) | 80 | Collinsite | Ca2(Mg,Fe++)(PO4)2•2(H2O) |
| 3.040(29.36) | 100 | 2.140(42.19) | 80 | 2.820(31.70) | 80 | Grayite | (Th,Pb,Ca)PO4•(H2O) |
| 3.040(29.36) | 100 | 2.096(43.12) | 80 | 1.298(72.80) | 70 | Babkinite | Pb2Bi2(S,Se)3 |
| 3.040(29.36) | 100 | 2.060(43.92) | 70 | 2.720(32.90) | 60 | Ericaite | (Fe++,Mg,Mn)3B7O13Cl |
| 3.040(29.36) | 100 | 3.670(24.23) | 100 | 2.458(36.53) | 75 | Peprossiite-(Ce) | (Ce,La)(Al3O)2/3B4O10 |
| 3.041(29.35) | 100 | 3.462(25.71) | 66 | 3.086(28.91) | 54 | Newberyite | Mg(PO3OH)•3(H2O) |
| 3.042(29.34) | 100 | 2.714(32.98) | 85 | 3.222(27.66) | 45 | Arrojadite | KNa4CaMn++4Fe++10Al(PO4)12(OH,F)2 |
| 3.043(29.33) | 100 | 1.879(48.40) | 90 | 1.598(57.64) | 70 | Talnakhite | Cu9(Fe,Ni)8S16 |
| 3.044(29.32) | 100 | 6.090(14.53) | 80 | 1.864(48.82) | 70 | Bariopyrochlore | (Ba,Sr)(Nb,Ti)2(O,OH)7 |
| 3.044(29.32) | 100 | 1.864(48.82) | 38 | 2.637(33.97) | 37 | Avicennite | Tl2O3 |
| 3.044(29.32) | 100 | 3.470(25.65) | 90 | 3.320(26.83) | 70 | Fransoletite | H2Ca3Be2(PO4)4•4(H2O) |
| 3.045(29.31) | 100 | 2.799(31.95) | 100 | 3.093(28.84) | 80 | Clinokurchatovite | Ca(Mg,Fe++,Mn)B2O5 |
| 3.045(29.31) | 100 | 3.285(27.12) | 90 | 4.990(17.76) | 50 | Tavorite | LiFe+++(PO4)(OH) |
| 3.045(29.31) | 100 | 2.273(39.62) | 52 | 6.830(12.95) | 36 | Yttrotungstite-(Ce) | (Ce,Nd,Y)W2O6(OH)3 |
| 3.046(29.30) | 100 | 2.160(41.78) | 90 | 2.070(43.69) | 90 | Nyerereite | Na2Ca(CO3)2 |
| 3.046(29.30) | 100 | 1.855(49.07) | 90 | 1.592(57.87) | 70 | Luzonite | Cu3AsS4 |
| 3.046(29.30) | 100 | 2.070(43.69) | 90 | 2.160(41.78) | 90 | Nyerereite | Na2Ca(CO3)2 |
| 3.046(29.30) | 100 | 2.160(41.78) | 90 | 2.540(35.31) | 90 | Nyerereite | Na2Ca(CO3)2 |
| 3.048(29.28) | 100 | 2.573(34.84) | 43 | 3.025(29.50) | 43 | Johannsenite | CaMnSi2O6 |
| 3.048(29.28) | 100 | 3.025(29.50) | 43 | 2.573(34.84) | 43 | Johannsenite | CaMnSi2O6 |
| 3.049(29.27) | 100 | 3.762(23.63) | 21 | 1.527(60.59) | 15 | Fersmite | (Ca,Ce,Na)(Nb,Ta,Ti)2(O,OH,F)6 |
| 3.049(29.27) | 100 | 5.418(16.35) | 92 | 2.709(33.04) | 89 | Melonjosephite | CaFe++Fe+++(PO4)2(OH) |
| 3.049(29.27) | 100 | 2.835(31.53) | 84 | 8.220(10.75) | 71 | Altisite | Na3K6Ti2Al2Si8O26Cl3 |
| 3.050(29.26) | 100 | 2.164(41.70) | 71 | 2.546(35.22) | 63 | Pasavaite | Pd3Pb2Te2 |
| 3.050(29.26) | 100 | 2.691(33.27) | 71 | 5.861(15.10) | 29 | Arrojadite-(KNa) | KNa4Ca(Fe,Mn,Mg)13Al(PO4)11(PO3OH)(OH,F)2 |
| 3.050(29.26) | 100 | 2.960(30.17) | 100 | 3.940(22.55) | 100 | Catapleiite | (Na,Ca,[ ])2ZrSi3O9•2(H2O) |
| 3.050(29.26) | 100 | 2.865(31.19) | 80 | 3.860(23.02) | 50 | Grumiplucite | HgBi2S4 |
| 3.050(29.26) | 100 | 2.090(43.25) | 90 | 2.240(40.23) | 90 | Kotulskite | Pd(Te,Bi) |
| 3.050(29.26) | 100 | 1.874(48.54) | 90 | 1.597(57.68) | 60 | Putoranite | Cu1.1Fe1.2S2 |
| 3.050(29.26) | 100 | 1.870(48.65) | 50 | 2.640(33.93) | 40 | Germanocolusite | Cu13V(Ge,As)3S16 |
| 3.050(29.26) | 100 | 1.868(48.71) | 90 | 1.593(57.83) | 70 | Giraudite | (Cu,Zn,Ag)12(As,Sb)4(Se,S)13 |
| 3.050(29.26) | 100 | 2.711(33.01) | 40 | 1.642(55.95) | 40 | Ferripedrizite | NaLi2(Fe+++2Mg2Li)Si8O22(OH)2 |
| 3.050(29.26) | 100 | 2.240(40.23) | 90 | 2.090(43.25) | 90 | Kotulskite | Pd(Te,Bi) |
| 3.050(29.26) | 100 | 2.219(40.62) | 80 | 2.093(43.19) | 80 | Paradocrasite | Sb2(Sb,As)2 |
| 3.050(29.26) | 100 | 1.589(57.99) | 80 | 1.866(48.76) | 80 | Stannomicrolite | (Sn++,Fe++,Mn++)(Ta,Nb,Sn++++)2(O,OH)7 |
| 3.050(29.26) | 100 | 1.642(55.95) | 40 | 2.711(33.01) | 40 | Ferripedrizite | NaLi2(Fe+++2Mg2Li)Si8O22(OH)2 |
| 3.050(29.26) | 100 | 4.000(22.21) | 100 | 3.406(26.14) | 100 | Calciouranoite | (Ca,Ba,Pb)U2O7•5(H2O) |
| 3.050(29.26) | 100 | 1.862(48.87) | 70 | 2.640(33.93) | 50 | Freibergite | (Ag,Cu,Fe)12(Sb,As)4S13 |
| 3.050(29.26) | 100 | 1.866(48.76) | 80 | 1.589(57.99) | 80 | Stannomicrolite | (Sn++,Fe++,Mn++)(Ta,Nb,Sn++++)2(O,OH)7 |
| 3.050(29.26) | 100 | 3.430(25.96) | 100 | 2.790(32.05) | 70 | Weilite | CaHAsO4 |
| 3.050(29.26) | 100 | 4.260(20.83) | 100 | 6.600(13.40) | 90 | Armstrongite | CaZrSi6O15•3(H2O) |
| 3.050(29.26) | 100 | 3.640(24.43) | 80 | 2.030(44.60) | 60 | Garrelsite-V | Ba3NaSi2B7O16(OH)4 |
| 3.050(29.26) | 100 | 2.800(31.94) | 75 | 2.840(31.47) | 70 | Chursinite | Hg+Hg++(AsO4) |
| 3.050(29.26) | 100 | 3.406(26.14) | 100 | 4.000(22.21) | 100 | Calciouranoite | (Ca,Ba,Pb)U2O7•5(H2O) |
| 3.050(29.26) | 100 | 3.240(27.51) | 90 | 4.240(20.93) | 80 | Bruggenite | Ca(IO3)2•(H2O) |
| 3.050(29.26) | 100 | 3.240(27.51) | 60 | 8.260(10.70) | 55 | Anthophyllite | [ ]Mg7Si8O22(OH)2 |
| 3.050(29.26) | 100 | 3.230(27.59) | 90 | 3.130(28.49) | 70 | Emplectite | CuBiS2 |
| 3.050(29.26) | 100 | 3.220(27.68) | 90 | 7.000(12.64) | 70 | Gutkovaite-Mn | CaK2Mn(Ti,Nb)4(Si4O12)2(O,OH)4•5(H2O) |
| 3.050(29.26) | 100 | 2.914(30.66) | 80 | 2.865(31.19) | 50 | Grumiplucite | HgBi2S4 |
| 3.050(29.26) | 100 | 2.867(31.17) | 61 | 2.568(34.91) | 39 | Bearthite | Ca2Al(PO4)2(OH) |
| 3.050(29.26) | 100 | 2.720(32.90) | 90 | 3.220(27.68) | 70 | Dickinsonite | KNa4Ca(Mn++,Fe++)14Al(PO4)12(OH)2 |
| 3.050(29.26) | 100 | 4.480(19.80) | 90 | 2.330(38.61) | 50 | Hydrophilite | CaCl2 |
| 3.050(29.26) | 100 | 2.700(33.15) | 60 | 3.080(28.97) | 40 | Argyrodite | Ag8GeS6 |
| 3.050(29.26) | 100 | 2.140(42.19) | 50 | 2.250(40.04) | 30 | Sylvanite | (Au,Ag)2Te4 |
| 3.050(29.26) | 100 | 8.270(10.69) | 90 | 2.687(33.32) | 30 | Ferroglaucophane | [ ]Na2(Fe++3Al2)Si8O22(OH)2 |
| 3.050(29.26) | 100 | 2.093(43.19) | 80 | 2.219(40.62) | 80 | Paradocrasite | Sb2(Sb,As)2 |
| 3.050(29.26) | 100 | 2.080(43.47) | 67 | 2.870(31.14) | 66 | Bobfergusonite | Na2Mn++5Fe+++Al(PO4)6 |
| 3.052(29.24) | 100 | 1.817(50.17) | 40 | 2.239(40.25) | 35 | Graulichite-(Ce) | CeFe+++3(AsO4)2(OH)6 |
| 3.052(29.24) | 100 | 3.636(24.46) | 40 | 1.817(50.17) | 35 | Graulichite-(Ce) | CeFe+++3(AsO4)2(OH)6 |
| 3.052(29.24) | 100 | 3.070(29.06) | 100 | 4.195(21.16) | 100 | Anthoinite | AlWO3(OH)3 |
| 3.052(29.24) | 100 | 4.195(21.16) | 100 | 3.070(29.06) | 100 | Anthoinite | AlWO3(OH)3 |
| 3.053(29.23) | 100 | 1.869(48.68) | 90 | 1.595(57.75) | 30 | Calvertite | Cu5Ge0.5S4 |
| 3.053(29.23) | 100 | 5.250(16.87) | 80 | 2.954(30.23) | 70 | Hanawaltite | Hg+6Hg++[Cl,(OH)]2O3 |
| 3.053(29.23) | 100 | 2.687(33.32) | 20 | 3.561(24.98) | 15 | Mosandrite | Na(Na,Ca)2(Ca,Ce,Y)4(Ti,Nb,Zr)(Si2O7)2(O,F)2F3 |
| 3.054(29.22) | 100 | 1.869(48.68) | 70 | 1.593(57.83) | 70 | Cesplumtantite | (Cs,Na,Ca)2(Pb,Sb+++,Sn)3Ta8O24 |
| 3.054(29.22) | 100 | 2.842(31.45) | 80 | 1.765(51.75) | 80 | Girdite | Pb3H2(Te++++O3)(Te++++++O6) |
| 3.054(29.22) | 100 | 1.899(47.86) | 32 | 1.560(59.18) | 32 | Paraniite-(Y) | Ca2Y(AsO4)(WO4)2 |
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