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.
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D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
21.800(4.05) | 200 | 10.920(8.09) | 120 | 7.320(12.08) | 100 | Woodwardite | Cu4Al2(SO4)(OH)12·2-4(H2O) |
21.800(4.05) | 200 | 10.900(8.10) | 180 | 7.260(12.18) | 160 | Glaucocerinite | (Zn,Cu)5Al3(SO4)1.5(OH)16·9(H2O) |
21.800(4.05) | 200 | 7.540(11.73) | 160 | 15.260(5.79) | 100 | Abelsonite | Ni++C31H32N4 |
21.860(4.04) | 200 | 10.918(8.09) | 160 | 7.758(11.40) | 140 | Holdawayite | Mn++6(CO3)2(OH)7(Cl,OH) |
21.880(4.04) | 200 | 26.000(3.40) | 60 | 5.456(16.23) | 50 | Nafertisite | Na3(Fe++,Fe+++)6(Ti2Si12O34)(O,OH)7·2(H2O) |
21.920(4.03) | 200 | 5.124(17.29) | 180 | 5.326(16.63) | 160 | Osakaite | Zn4SO4(OH)6·5H2O |
21.960(4.02) | 200 | 5.094(17.39) | 180 | 10.940(8.08) | 180 | Shigaite | Mn++7Al4(SO4)2(OH)22·8(H2O) |
21.960(4.02) | 200 | 11.078(7.97) | 120 | 7.348(12.03) | 100 | Nikischerite | NaFe++6Al3(SO4)2(OH)18(H2O)12 |
21.980(4.02) | 200 | 44.580(1.98) | 96 | 6.340(13.96) | 66 | Brinrobertsite | (Na,K,Ca)x(Al,Fe,Mg)4(Si,Al)8O20(OH)4·3.54(H2O) [x = 0.35, n = 3.54] |
22.000(4.01) | 200 | 11.100(7.96) | 140 | 9.460(9.34) | 120 | Franconite | Na2Nb4O11·9(H2O) |
22.000(4.01) | 200 | 44.000(2.01) | 200 | 6.400(13.83) | 160 | Fahleite | Zn5CaFe+++2(AsO4)6·14(H2O) |
22.000(4.01) | 200 | 10.720(8.24) | 100 | 7.360(12.01) | 80 | Hydrohonessite | Ni6Fe+++2(SO4)(OH)16·7(H2O) |
22.000(4.01) | 200 | 36.600(2.41) | 50 | 7.756(11.40) | 40 | Pushcharovskite | Cu(AsO3OH)·1.5(H2O) |
22.060(4.00) | 200 | 11.060(7.99) | 70 | 4.327(20.51) | 50 | Hewettite | CaV6O16·9(H2O) |
22.200(3.98) | 200 | 6.580(13.45) | 160 | 7.480(11.82) | 160 | Coconinoite | Fe+++2Al2(UO2)2(PO4)4(SO4)(OH)2·18(H2O) |
22.200(3.98) | 200 | 5.438(16.29) | 100 | 4.360(20.35) | 98 | Cronusite | Ca0.2(H2O)2CrS2 |
22.220(3.97) | 200 | 6.580(13.45) | 160 | 7.480(11.82) | 160 | Xiangjiangite | (Fe+++,Al)(UO2)4(PO4)2(SO4)2(OH)·22(H2O) |
22.240(3.97) | 200 | 6.740(13.12) | 180 | 13.620(6.48) | 120 | Switzerite | (Mn++,Fe++)3(PO4)2·7(H2O) |
22.240(3.97) | 200 | 11.098(7.96) | 48 | 7.408(11.94) | 30 | Zincowoodwardite | [Zn1-xAlx(OH)2][(SO4)x/2(H2O)n] |
22.280(3.96) | 200 | 5.570(15.90) | 50 | 8.748(10.10) | 42 | Nissonite | Cu2Mg2(PO4)2(OH)2·5(H2O) |
22.400(3.94) | 200 | 5.360(16.53) | 140 | 11.300(7.82) | 120 | Diaoyudaoite | NaAl11O17 |
22.400(3.94) | 200 | 5.466(16.20) | 120 | 11.220(7.87) | 120 | Kittatinnyite | Ca2Mn+++2Mn++Si2O8(OH)4·9(H2O) |
22.500(3.92) | 200 | 5.588(15.85) | 120 | 6.068(14.59) | 120 | Clinotobermorite | Ca5Si6(O,OH)18·5(H2O) |
22.600(3.91) | 200 | 5.134(17.26) | 80 | 7.096(12.46) | 60 | Bostwickite | CaMn+++6Si3O16·7(H2O) |
22.600(3.91) | 200 | 11.260(7.85) | 160 | 7.530(11.74) | 120 | Mountkeithite | (Mg,Ni)11(Fe+++,Cr)3(SO4,CO3)3.5(OH)24·11(H2O) |
22.600(3.91) | 200 | 11.340(7.79) | 180 | 6.360(13.91) | 160 | Haapalaite | 2(Fe,Ni)S·1.6(Mg,Fe++)(OH)2 |
22.640(3.90) | 200 | 7.440(11.89) | 140 | 11.160(7.92) | 120 | Motukoreaite | Na2Mg38Al24(CO3)13(SO4)8(OH)108·56(H2O) |
22.680(3.89) | 200 | 8.740(10.11) | 158 | 8.020(11.02) | 114 | Gottardiite | Na3Mg3Ca5Al19Si117O272·93(H2O) |
22.740(3.88) | 200 | 5.798(15.27) | 100 | 6.090(14.53) | 80 | Defernite | Ca6(CO3)2-x(SiO4)x(OH)7(Cl,OH)1-2x (x=0,5) |
22.820(3.87) | 200 | 13.220(6.68) | 146 | 8.644(10.22) | 134 | Erionite-Na | (Na2,K2,Ca)2[Al4Si14O36]·15(H2O) |
22.820(3.87) | 200 | 13.220(6.68) | 146 | 8.644(10.22) | 134 | Erionite-K | (K2,Ca,Na2)2[Al4Si14O36]·15(H2O) |
22.820(3.87) | 200 | 13.220(6.68) | 146 | 8.644(10.22) | 134 | Erionite-Ca | (Ca,K2,Na2)2[Al4Si14O36]·15(H2O) |
22.980(3.84) | 200 | 6.540(13.53) | 180 | 12.460(7.09) | 180 | Phaunouxite | Ca3(AsO4)·11(H2O) |
23.000(3.84) | 200 | 5.220(16.97) | 120 | 5.780(15.32) | 120 | Erlianite | (Fe++,Mg)4(Fe+++,V+++)2[Si6O15](O,OH)8 |
23.000(3.84) | 200 | 5.988(14.78) | 62 | 5.132(17.26) | 50 | Smythite | (Fe,Ni)9S11 or (Fe,Ni)13S16 |
23.000(3.84) | 200 | 5.760(15.37) | 130 | 8.700(10.16) | 120 | Offretite | (K2,Ca,Mg)2.5Al5Si13O36·15(H2O) |
23.000(3.84) | 200 | 11.220(7.87) | 180 | 5.688(15.57) | 120 | Wallkilldellite | Ca4Mn++6As+++++4O16(OH)8·18(H2O) |
23.020(3.84) | 200 | 8.692(10.17) | 176 | 5.776(15.33) | 106 | Calciopetersite | CaCu6[(PO4)2(PO3OH)(OH)6]·3(H2O) |
23.040(3.83) | 200 | 5.800(15.26) | 84 | 13.980(6.32) | 46 | Sasaite | (Al,Fe+++)14(PO4)11(SO4)(OH)7·84(H2O) |
23.128(3.82) | 200 | 13.864(6.37) | 180 | 6.104(14.50) | 150 | Haineaultite | (Na,Ca)5Ca(Ti,Nb)5(Si,S)12O34(OH,F)8·5(H2O) |
23.160(3.81) | 200 | 5.980(14.80) | 200 | 3.304(26.96) | 160 | Ershovite | Na4K3(Fe++,Mn++,Ti)2Si8O20(OH)4·5(H2O) |
23.200(3.81) | 200 | 11.340(7.79) | 160 | 6.550(13.51) | 140 | Wallkilldellite-(Fe) | (Ca,Cu)4Fe6[(As,Si)O4]4(OH)8·18(H2O) |
23.200(3.81) | 200 | 13.240(6.67) | 60 | 10.040(8.80) | 60 | Kribergite | Al5(PO4)3(SO4)(OH)4·4(H2O) |
23.200(3.81) | 200 | 5.720(15.48) | 160 | 11.400(7.75) | 120 | Murmanite | (Na,[ ])2{(Na,Ti)4[Ti2(O,H2O)4Si4O14](OH,F)2}·2H2O |
23.200(3.81) | 200 | 4.866(18.22) | 120 | 8.720(10.14) | 100 | Petersite-(Y) | (Y,Ce,Nd,Ca)Cu6(PO4)3(OH)6·3(H2O) |
23.200(3.81) | 200 | 13.820(6.39) | 180 | 6.080(14.56) | 160 | Chivruaiite | Ca4(Ti,Nb)5[(Si6O17)2[(OH,O)5]·13-14H2O |
23.260(3.80) | 200 | 5.840(15.16) | 100 | 6.470(13.68) | 90 | Goudeyite | (Al,Y)Cu6(AsO4)3(OH)6·3(H2O) |
23.260(3.80) | 200 | 11.600(7.61) | 54 | 11.760(7.51) | 40 | Avdoninite | K2Cu5Cl8(OH)4·H2O |
23.280(3.79) | 200 | 5.869(15.08) | 84 | 8.862(9.97) | 82 | Zalesiite | (Ca,Y)Cu6[(AsO4)2(AsO3OH)(OH)6]·3(H2O) |
23.308(3.79) | 200 | 9.724(9.09) | 124 | 13.162(6.71) | 124 | Matioliite | NaMgAl5(PO4)4(OH)6·2H2O |
23.320(3.79) | 200 | 6.000(14.75) | 82 | 5.314(16.67) | 44 | Chlorartinite | Mg2(CO3)Cl(OH)·3(H2O) |
23.400(3.77) | 200 | 4.900(18.09) | 80 | 7.120(12.42) | 54 | Agardite-(La) | (La,Ca)Cu6(AsO4)3(OH)6·3(H2O) |
23.420(3.77) | 200 | 6.162(14.36) | 180 | 6.230(14.20) | 140 | Burangaite | (Na,Ca)2(Fe++,Mg)2Al10(PO4)8(OH,O)12·4(H2O) |
23.556(3.75) | 200 | 8.780(10.07) | 140 | 6.024(14.69) | 140 | IMA2009-025 | Na3K3Fe+++2Si8O20(OH)4·4H2O |
23.580(3.74) | 200 | 15.800(5.59) | 160 | 20.320(4.34) | 160 | Bouazzerite | Bi6(Mg,Co)11Fe14[AsO4]18O12(OH)4(H2O)86 |
23.600(3.74) | 200 | 6.560(13.49) | 140 | 6.760(13.09) | 140 | Giorgiosite | Mg5(CO3)4(OH)2·5(H2O) |
23.640(3.73) | 200 | 9.700(9.11) | 180 | 11.900(7.42) | 170 | Ktenasite | (Cu,Zn)5(SO4)2(OH)6·6(H2O) |
23.700(3.73) | 200 | 6.100(14.51) | 180 | 11.280(7.83) | 140 | Gerstleyite | Na2(Sb,As)8S13·2(H2O) |
23.760(3.72) | 200 | 4.920(18.01) | 180 | 5.900(15.00) | 160 | Agardite-(Ce) | (Ce,Ca)Cu6(AsO4)3(OH)6·3(H2O) |
23.800(3.71) | 200 | 7.620(11.60) | 170 | 7.420(11.92) | 140 | Calcioaravaipaite | PbCa2Al(F,OH)9 |
23.800(3.71) | 200 | 6.196(14.28) | 160 | 6.122(14.46) | 140 | Mahnertite | (Na,Ca)Cu++3(AsO4)2Cl·5(H2O) |
23.800(3.71) | 200 | 46.200(1.91) | 200 | 18.200(4.85) | 28 | Cacoxenite | (Fe+++,Al)25(PO4)17O6(OH)12·75(H2O) |
23.902(3.69) | 200 | 8.380(10.55) | 140 | 6.232(14.20) | 120 | Ruizite | CaMn+++Si2O6(OH)·2(H2O) |
23.960(3.68) | 200 | 11.960(7.39) | 180 | 7.590(11.65) | 160 | Vanuralite | Al(UO2)2(VO4)2(OH)·11(H2O) |
23.960(3.68) | 200 | 11.980(7.37) | 120 | 5.934(14.92) | 100 | Slavkovite | Cu13(AsO4)6(AsO3OH)4·23(H2O) |
24.000(3.68) | 200 | 4.920(18.01) | 180 | 7.140(12.39) | 160 | Mixite | BiCu6(AsO4)3(OH)6·3(H2O) |
24.000(3.68) | 200 | 6.060(14.61) | 160 | 12.180(7.25) | 120 | Zeophyllite | Ca4Si3O8(OH,F)4·2(H2O) |
24.000(3.68) | 200 | 3.040(29.36) | 180 | 5.240(16.91) | 180 | Aliettite | [Mg3Si4O10(OH)2](Ca0.5,Na)0.33(Al,Mg,Fe++)2-3(Si,Al)4O10(OH)2·n(H2O) |
24.020(3.68) | 200 | 7.200(12.28) | 160 | 4.980(17.80) | 140 | Plumboagardite | (Pb,REE,Ca)Cu6(AsO4)3(OH)6·3(H2O) |
24.120(3.66) | 200 | 12.040(7.34) | 80 | 7.520(11.76) | 60 | Kimuraite-(Y) | CaY2(CO3)4·6(H2O) |
24.140(3.66) | 200 | 12.092(7.30) | 200 | 8.080(10.94) | 180 | Arakiite | (Zn,Mn++)(Mn++,Mg)12(Fe+++,Al)2(AsO3)(AsO4)2(OH)23 |
24.200(3.65) | 200 | 3.156(28.25) | 180 | 5.180(17.10) | 180 | Calcioferrite | Ca4Fe++(Fe+++,Al)4(PO4)6(OH)4·12(H2O) |
24.200(3.65) | 200 | 21.200(4.16) | 120 | 5.800(15.26) | 100 | Navajoite | V2O5·3(H2O) |
24.200(3.65) | 200 | 5.846(15.14) | 160 | 5.936(14.91) | 160 | Caryochroite | (Na,Sr)3(Fe+++,Mg)10[Ti2Si12O37](O,OH)9·8H2O |
24.200(3.65) | 200 | 4.920(18.01) | 180 | 8.960(9.86) | 160 | Modderite | (Co,Fe)As |
24.200(3.65) | 200 | 5.960(14.85) | 160 | 13.920(6.34) | 120 | Fibroferrite | Fe+++(SO4)(OH)·5(H2O) |
24.220(3.65) | 200 | 5.164(17.16) | 80 | 3.156(28.25) | 60 | Lennilenapeite | K6-7(Mg,Mn,Fe++,Fe+++,Zn)48(Si,Al)72(O,OH)216·16(H2O) |
24.260(3.64) | 200 | 5.570(15.90) | 60 | 19.960(4.42) | 44 | Teruggite | Ca4MgAs2B12O22(OH)12·12(H2O) |
24.380(3.62) | 200 | 6.120(14.46) | 134 | 4.902(18.08) | 62 | Peretaite | CaSb+++4O4(OH)2(SO4)2·2(H2O) |
24.400(3.62) | 200 | 4.880(18.16) | 60 | 6.660(13.28) | 60 | Falcondoite | (Ni,Mg)4Si6O15(OH)2·6(H2O) |
24.400(3.62) | 200 | 5.440(16.28) | 140 | 6.072(14.58) | 120 | Vitimite | Ca6B14O19(SO4)(OH)14·5(H2O) |
24.400(3.62) | 200 | 15.500(5.70) | 160 | 12.000(7.36) | 60 | Ulexite | NaCaB5O6(OH)6·5(H2O) |
24.520(3.60) | 200 | 7.000(12.64) | 100 | 6.100(14.51) | 40 | Hydrobiotite | [K(Mg,Fe)3(Al,Fe)Si3O10(OH,F)2]·[(Mg,Fe++,Al)3(Si,Al)4O10(OH)2·4(H2O)] |
24.560(3.59) | 200 | 5.680(15.59) | 180 | 5.268(16.82) | 176 | Middendorfite | K3Na2Mn5Si12(O,OH)36·2H2O |
24.560(3.59) | 200 | 6.154(14.38) | 108 | 6.520(13.57) | 36 | Armbrusterite | K5Na6Mn+++Mn++14[Si9O22]4(OH)10·4H2O |
24.600(3.59) | 200 | 3.060(29.16) | 140 | 6.200(14.27) | 100 | Saponite | (Ca/2,Na)0,3(Mg,Fe++)3(Si,Al)4O10(OH)2·4(H2O) |
24.600(3.59) | 200 | 5.160(17.17) | 120 | 8.800(10.04) | 70 | Sepiolite | Mg4Si6O15(OH)2·6(H2O) |
24.600(3.59) | 200 | 5.166(17.15) | 80 | 5.474(16.18) | 60 | Franklinphilite | (K,Na)4(Mn++,Mg,Zn)48(Si,Al)72(O,OH)216·6(H2O) |
24.640(3.58) | 200 | 6.440(13.74) | 172 | 6.216(14.24) | 58 | Seidite-(Ce) | Na4(Ce,Sr)2{Ti(OH)2(Si8O18)}(O,OH,F)4·5(H2O) |
24.660(3.58) | 200 | 6.244(14.17) | 120 | 7.840(11.28) | 120 | Mcnearite | NaCa5H4(AsO4)5·4(H2O) |
24.660(3.58) | 200 | 6.880(12.86) | 40 | 8.200(10.78) | 32 | Bannisterite | KCa(Mn,Fe++,Zn,Mg)21(Si,Al)32O76(OH)16·4-12(H2O) |
24.720(3.57) | 200 | 23.200(3.81) | 80 | 6.822(12.97) | 74 | Kalifersite | (K,Na)5Fe+++7Si20O50(OH)6·12(H2O) |
24.800(3.56) | 200 | 6.680(13.24) | 50 | 12.380(7.13) | 18 | Ajoite | (K,Na)3Cu20Al3Si29O76(OH)16·~8(H2O) |
24.934(3.54) | 200 | 8.312(10.63) | 104 | 5.348(16.56) | 26 | Coalingite | Mg10Fe+++2(CO3)(OH)24·2(H2O) |
24.986(3.53) | 200 | 6.472(13.67) | 178 | 6.247(14.17) | 108 | Aravaipaite | Pb3AlF9·(H2O) |
25.000(3.53) | 200 | 20.600(4.29) | 90 | 10.400(8.50) | 84 | Tokkoite | K2Ca4[Si7O18(OH)](F,OH) |
25.000(3.53) | 200 | 6.280(14.09) | 50 | 5.400(16.40) | 28 | Ganophyllite | (K,Na)2(Mn,Al,Mg)8(Si,Al)12O29(OH)7·8-9(H2O) |
25.140(3.51) | 200 | 6.320(14.00) | 80 | 6.854(12.91) | 30 | Zakharovite | Na4Mn++5Si10O24(OH)6·6(H2O) |
25.200(3.50) | 200 | 10.580(8.35) | 140 | 12.360(7.15) | 140 | Hydrobasaluminite | Al4(SO4)(OH)10·12-36(H2O) |
25.200(3.50) | 200 | 5.380(16.46) | 180 | 4.920(18.01) | 150 | Tamaite | (Ca,K,Ba,Na)3-4Mn24(Si,Al)40(O,OH)112·21(H2O) |
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