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.
[ 1 ] [ 2 ] [ 3 ] [ 4 ] [ 5 ] [ 6 ] [ 7 ] [ 8 ] [ 9 ] [ 10 ] [ 11 ] [ 12 ] [ 13 ] [ 14 ] [ 15 ] [ 16 ] [ 17 ] [ 18 ] [ 19 ] [ 20 ] [ 21 ] [ 22 ] [ 23 ] [ 24 ] [ 25 ] [ 26 ] [ 27 ] [ 28 ] [ 29 ] [ 30 ] [ 31 ] [ 32 ] [ 33 ] [ 34 ] [ 35 ] [ 36 ] [ 37 ] [ 38 ] [ 39 ] [ 40 ] [ 41 ] [ 42 ] [ 43 ] [ 44 ] [ 45 ]
D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
25.260(3.49) | 200 | 10.820(8.16) | 70 | 15.640(5.65) | 70 | Peisleyite | Na3Al16(SO4)2(PO4)10(OH)17·20(H2O) |
25.400(3.48) | 200 | 6.100(14.51) | 160 | 5.780(15.32) | 140 | Tacharanite | Ca12Al2Si18O33(OH)36 |
25.540(3.46) | 200 | 5.536(16.00) | 180 | 16.700(5.29) | 140 | Schoonerite | Fe++2ZnMnFe+++(PO4)3(OH)2·9(H2O) |
25.542(3.46) | 200 | 6.280(14.09) | 100 | 7.262(12.18) | 100 | Gerdtremmelite | ZnAl2(AsO4)(OH)5 |
25.600(3.45) | 200 | 9.528(9.27) | 68 | 5.260(16.84) | 58 | Kankite | Fe+++AsO4·3.5(H2O) |
25.620(3.45) | 200 | 12.900(6.85) | 140 | 5.142(17.23) | 120 | Adamsite-(Y) | NaY(CO3)2·6(H2O) |
25.640(3.44) | 200 | 15.570(5.67) | 160 | 12.638(6.99) | 80 | Walkerite | Ca16(Mg,Li,[ ])2[B13O17(OH)12]4Cl6·28(H2O) |
25.800(3.42) | 200 | 6.336(13.97) | 140 | 15.326(5.76) | 100 | Apachite | Cu9Si10O29·11(H2O) |
25.800(3.42) | 200 | 6.000(14.75) | 100 | 8.860(9.98) | 60 | Walentaite | (Ca,Mn++,Fe++)Fe+++3(AsO4)(PO4)3(PO3OH) |
25.800(3.42) | 200 | 8.680(10.18) | 36 | 9.020(9.80) | 14 | Loughlinite | Na2Mg3Si6O16·8(H2O) |
25.900(3.41) | 200 | 13.002(6.79) | 46 | 8.678(10.18) | 30 | Gordaite | NaZn(SO4)(OH)6Cl·6(H2O) |
25.920(3.41) | 200 | 3.016(29.59) | 180 | 9.060(9.75) | 180 | Swinefordite | (Li,Ca0.5,Na)0.72(Li,Al,Mg)2.66(Si,Al)4O10(OH,F)2·2(H2O) |
25.940(3.40) | 200 | 6.266(14.12) | 100 | 8.640(10.23) | 100 | Thomasclarkite-(Y) | (Na,Ce)(Y,REE)(HCO3)(OH)3·4(H2O) |
26.000(3.40) | 200 | 6.060(14.61) | 90 | 5.304(16.70) | 60 | Jonesite | Ba2(K,Na)[Ti2(Si5Al)O18·n(H2O) |
26.020(3.39) | 200 | 6.512(13.59) | 190 | 18.400(4.80) | 124 | Niveolanite | NaBe(CO3)(OH)·2H2O |
26.120(3.38) | 200 | 10.700(8.26) | 180 | 7.700(11.48) | 160 | Torreyite | (Mg,Mn)9Zn4(SO4)2(OH)22·8(H2O) |
26.160(3.37) | 200 | 12.260(7.20) | 160 | 18.540(4.76) | 160 | Roggianite | Ca2[Be(OH)2Al2Si4O13]·<2·5(H2O) |
26.200(3.37) | 200 | 5.054(17.53) | 180 | 5.362(16.52) | 80 | Theresemagnanite | (Co,Zn,Ni)6(SO4)(OH,Cl)10·8(H2O) |
26.360(3.35) | 200 | 13.160(6.71) | 86 | 5.936(14.91) | 74 | Martinite | (Na,[ ],Ca)12Ca4(Si,S,B)14B2O38(OH,Cl)2F2·4(H2O) |
26.580(3.32) | 200 | 6.264(14.13) | 180 | 5.552(15.95) | 70 | Richelsdorfite | Ca2Cu5Sb(AsO4)4Cl(OH)6·6(H2O) |
26.600(3.32) | 200 | 7.000(12.64) | 160 | 12.460(7.09) | 160 | Punkaruaivite | Li{Ti2(OH)2[Si4O11(OH)]}·H2O |
26.660(3.31) | 200 | 5.824(15.20) | 180 | 13.340(6.62) | 152 | Shlykovite | KCa[Si4O9(OH)]·3H2O |
26.760(3.30) | 200 | 22.100(3.99) | 50 | 11.460(7.71) | 46 | Angastonite | CaMgAl2(PO4)2(OH)4?7H2O |
26.800(3.29) | 200 | 15.960(5.53) | 160 | 11.100(7.96) | 120 | Aldermanite | Mg5Al12(PO4)8(OH)22·32(H2O) |
26.940(3.28) | 200 | 15.680(5.63) | 180 | 7.300(12.11) | 160 | Claraite | (Cu,Zn)3(CO3)(OH)4·4(H2O) |
26.980(3.27) | 200 | 15.572(5.67) | 100 | 21.940(4.02) | 100 | Gilalite | Cu5Si6O17·7(H2O) |
27.000(3.27) | 200 | 6.360(13.91) | 160 | 18.400(4.80) | 120 | Picropharmacolite | Ca4Mg(AsO3OH)2(AsO4)2·11(H2O) |
27.000(3.27) | 200 | 24.600(3.59) | 124 | 12.240(7.22) | 110 | Wardsmithite | Ca5MgB24O42·30(H2O) |
27.400(3.22) | 200 | 6.432(13.76) | 100 | 19.720(4.48) | 80 | Maricopaite | Pb7Ca2(Si,Al)48O100·32(H2O) |
27.600(3.20) | 200 | 9.200(9.61) | 180 | 5.340(16.59) | 140 | Molybdophyllite | Pb9Mg9Si9O24(OH)24 |
27.660(3.19) | 200 | 6.800(13.01) | 130 | 5.598(15.82) | 124 | Francoanellite | H6(K,Na)3(Al,Fe+++)5(PO4)8·13(H2O) |
27.820(3.17) | 200 | 9.700(9.11) | 180 | 7.964(11.10) | 120 | Chessexite | (K,Na)4Ca2Mg3Al8(SiO4)2(SO4)10(OH)10·40(H2O) |
27.960(3.16) | 200 | 6.912(12.80) | 140 | 9.680(9.13) | 140 | Lannonite | HCa4Mg2Al4(SO4)8F9·32(H2O) |
28.000(3.15) | 200 | 7.060(12.53) | 120 | 14.160(6.24) | 120 | Corrensite | (Ca,Na,K)(Mg,Fe,Al)9(Si,Al)8O20(OH)10·n(H2O) |
28.000(3.15) | 200 | 7.412(11.93) | 130 | 6.002(14.75) | 90 | Tobermorite | Ca5Si6O16(OH)2·4(H2O) |
28.000(3.15) | 200 | 6.020(14.70) | 160 | 7.780(11.36) | 160 | Guerinite | Ca5(AsO3OH)2(AsO4)2·9(H2O) |
28.200(3.13) | 200 | 5.580(15.87) | 120 | 6.500(13.61) | 114 | Yukonite | Ca7Fe+++11(AsO4)9O10·24.3(H2O) |
28.400(3.11) | 200 | 6.860(12.89) | 120 | 6.960(12.71) | 120 | Bariandite | Al0.6V8O20·9(H2O) |
28.600(3.09) | 200 | 9.040(9.78) | 120 | 20.760(4.25) | 48 | Parnauite | Cu9(AsO4)2(SO4)(OH)10·7(H2O) |
28.800(3.07) | 200 | 5.320(16.65) | 160 | 12.840(6.88) | 160 | Wiserite | Mn4B2O5(OH,Cl)4 |
28.940(3.05) | 200 | 6.050(14.63) | 80 | 5.762(15.36) | 40 | Manganokukisvumite | Na6MnTi4Si8O28·4(H2O) |
29.000(3.04) | 200 | 6.848(12.92) | 164 | 6.286(14.08) | 70 | Silhydrite | 3SiO2·(H2O) |
29.000(3.04) | 200 | 5.366(16.51) | 180 | 4.266(20.81) | 160 | Phosphoinnelite | Ba4Na3Ti3Si4O14(PO4,SO4)2(O,F)3 |
29.140(3.03) | 200 | 5.632(15.72) | 80 | 12.560(7.03) | 80 | Bleasdaleite | (Ca,Fe+++)2Cu5(Bi,Cu)(PO4 )4(H2O,OH,Cl)13 |
29.200(3.02) | 200 | 12.680(6.97) | 140 | 6.292(14.06) | 120 | Juanitaite | (Cu,Ca,Fe)10Bi(AsO4)4(OH)11·2(H2O) |
29.300(3.01) | 200 | 8.100(10.91) | 160 | 5.442(16.27) | 150 | Aerinite | (Ca,Na)6FeAl(Fe++,Mg)2(Al,Mg)6[Si12O36(OH)12H][(H2O)12(CO3)] |
29.600(2.98) | 200 | 5.312(16.68) | 60 | 9.040(9.78) | 60 | Ogdensburgite | Ca2(Zn,Mn)Fe+++4(AsO4)4(OH)6·6(H2O) |
29.800(2.96) | 200 | 5.404(16.39) | 100 | 14.940(5.91) | 100 | Santafeite | (Mn,Fe,Al,Mg)2(Mn++++,Mn++)2(Ca,Sr,Na)3(VO4,AsO4)4(OH)3·2(H2O) |
30.200(2.92) | 200 | 3.040(29.36) | 160 | 5.320(16.65) | 80 | Pimelite | Ni3Si4O10(OH)2·4(H2O) |
30.400(2.90) | 200 | 5.928(14.93) | 70 | 7.620(11.60) | 70 | Cowlesite | CaAl2Si3O10·5-6(H2O) |
30.600(2.88) | 200 | 8.180(10.81) | 140 | 3.056(29.20) | 120 | Zincsilite | Zn3Si4O10(OH)2·4(H2O) (?) |
30.820(2.86) | 200 | 6.870(12.88) | 160 | 6.292(14.06) | 100 | Magadiite | NaSi7O13(OH)3·4(H2O) |
31.000(2.85) | 200 | 9.060(9.75) | 70 | 3.036(29.39) | 30 | Stevensite | (Ca0.5,Na)0.33(Mg,Fe++)3Si4O10(OH)2·n(H2O) |
31.000(2.85) | 200 | 7.660(11.54) | 160 | 15.200(5.81) | 160 | Taranakite | K3Al5(HPO4)6(PO4)2·18(H2O) |
31.000(2.85) | 200 | 15.400(5.73) | 100 | 10.400(8.50) | 70 | Earlandite | Ca3(C6H5O7)·4(H2O) |
31.262(2.82) | 200 | 6.286(14.08) | 180 | 7.062(12.52) | 160 | Gabrielite | Tl2AgCu2As3S7 |
31.800(2.78) | 200 | 14.620(6.04) | 140 | 6.144(14.40) | 120 | Shabaite-(Nd) | Ca(Nd,Sm,Y)2(UO2)(CO3)4(OH)2·6(H2O) |
32.000(2.76) | 200 | 15.800(5.59) | 140 | 6.600(13.40) | 130 | Imogolite | Al2SiO3(OH)4 |
32.020(2.76) | 200 | 5.806(15.25) | 168 | 12.480(7.08) | 96 | Cryptophyllite | K2Ca[Si4O10]·5H2O |
32.400(2.72) | 200 | 8.100(10.91) | 60 | 10.800(8.18) | 52 | Surite | (Pb,Cu)2-3(CO3)1.5-2(OH,F)0.5-1[(Al,Fe+++)2(Si,Al)4O10(OH)2]·n(H2O) |
32.660(2.70) | 200 | 30.680(2.88) | 140 | 15.280(5.78) | 70 | Schoderite | Al2(PO4)(VO4)·8(H2O) |
33.400(2.64) | 200 | 5.522(16.04) | 50 | 16.660(5.30) | 30 | Arnhemite | (K,Na)2Mg2(P2O7)·5(H2O) |
34.200(2.58) | 200 | 24.086(3.67) | 160 | 15.230(5.80) | 120 | Ashcroftine-(Y) | K5Na5(Y,Ca)12Si28O70(OH)2(CO3)8·8(H2O) |
34.200(2.58) | 200 | 24.000(3.68) | 160 | 6.200(14.27) | 120 | Ashcroftine-(Ce) | K5Na5(Ce,Ca)12Si28O70(OH)2(CO3)8·8(H2O) |
36.200(2.44) | 200 | 6.040(14.65) | 180 | 5.396(16.41) | 140 | Britvinite | Pb7+xMg4.5[(Si,Al)5O14](BO3)(BO3,AsO4)(CO3)(OH,O)7 ( x < 0.5) |
36.240(2.44) | 200 | 6.440(13.74) | 160 | 9.220(9.58) | 160 | Zaherite | Al12(SO4)5(OH)26·20H20 |
36.680(2.41) | 200 | 31.640(2.79) | 100 | 19.380(4.56) | 10 | Tschortnerite | Ca4(Ca,Sr,K,Ba)3Cu3(OH)8[Si12Al12O48]·x(H2O), x>=20 |
39.360(2.24) | 200 | 6.856(12.90) | 170 | 19.850(4.45) | 100 | Kenyaite | Na2Si22O41(OH)8·6(H2O) |
42.000(2.10) | 200 | 5.182(17.10) | 180 | 7.640(11.57) | 160 | Kegelite | Pb8Al4Si8O20(SO4)2(CO3)4(OH)8 |
42.000(2.10) | 200 | 7.120(12.42) | 160 | 17.600(5.02) | 160 | Okenite | Ca3[Si6O15]·6(H2O) |
44.000(2.01) | 200 | 22.320(3.96) | 140 | 9.966(8.87) | 100 | Barahonaite-(Al) | (Ca,Cu,Na,Fe+++,Al )12Al2(AsO4)8(OH,Cl)x·nH2O |
44.000(2.01) | 200 | 22.400(3.94) | 140 | 5.526(16.03) | 60 | Barahonaite-(Fe) | (Ca,Cu,Na,Fe+++,Al )12Fe+++2(AsO4)8(OH,Cl)x·nH2O |
45.600(1.94) | 200 | 10.020(8.82) | 180 | 5.560(15.93) | 140 | Attikaite | Ca3Cu2Al2(AsO4)4(OH)4·2H2O |
46.266(1.91) | 200 | 23.134(3.82) | 140 | 7.130(12.40) | 98 | Rontgenite-(Ce) | Ca2(Ce,La)3(CO3)5F3 |
48.120(1.83) | 200 | 11.900(7.42) | 194 | 14.100(6.26) | 180 | Nechelyustovite | (Ba,Na)2{(Na,Ti,Mn)4[(Ti,Nb)2O2Si4O14](OH,O,F)2}·4.5H2O |
50.400(1.75) | 200 | 5.404(16.39) | 180 | 12.260(7.20) | 140 | Znucalite | CaZn11(UO2)(CO3)3(OH)20·4(H2O) |
51.000(1.73) | 200 | 6.340(13.96) | 148 | 16.960(5.21) | 144 | Bykovaite | BaNa{(Na,Ti)4[(Ti,Nb)2(OH,O)3Si4O14](OH,F)2}·3H2O |
56.000(1.58) | 200 | 5.996(14.76) | 160 | 28.200(3.13) | 160 | Tyrolite | CaCu5(AsO4)2(CO3)(OH)4·6(H2O) |
[ 1 ] [ 2 ] [ 3 ] [ 4 ] [ 5 ] [ 6 ] [ 7 ] [ 8 ] [ 9 ] [ 10 ] [ 11 ] [ 12 ] [ 13 ] [ 14 ] [ 15 ] [ 16 ] [ 17 ] [ 18 ] [ 19 ] [ 20 ] [ 21 ] [ 22 ] [ 23 ] [ 24 ] [ 25 ] [ 26 ] [ 27 ] [ 28 ] [ 29 ] [ 30 ] [ 31 ] [ 32 ] [ 33 ] [ 34 ] [ 35 ] [ 36 ] [ 37 ] [ 38 ] [ 39 ] [ 40 ] [ 41 ] [ 42 ] [ 43 ] [ 44 ] [ 45 ]