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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.
|
Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 6.870(12.88) | 100 | 2.560(35.02) | 90 | 3.050(29.26) | 80 | Tsepinite-K | (K,Ba,Na)2(Ti,Nb)2(Si4O12)(OH,O)2•3(H2O) |
| 6.870(12.88) | 100 | 2.758(32.44) | 80 | 2.707(33.06) | 80 | Gageite | (Mn,Mg,Zn)42Si16O54(OH)40 |
| 6.870(12.88) | 100 | 2.758(32.44) | 80 | 2.707(33.06) | 80 | Gageite-2M | (Mn,Mg,Zn)42Si16O54(OH)40 |
| 6.870(12.88) | 100 | 2.707(33.06) | 80 | 2.758(32.44) | 80 | Gageite-2M | (Mn,Mg,Zn)42Si16O54(OH)40 |
| 6.870(12.88) | 100 | 2.707(33.06) | 80 | 2.758(32.44) | 80 | Gageite | (Mn,Mg,Zn)42Si16O54(OH)40 |
| 6.900(12.82) | 100 | 2.180(41.38) | 65 | 3.610(24.64) | 65 | Minguzzite | K3Fe+++(C2O4)3•3(H2O) |
| 6.900(12.82) | 100 | 3.610(24.64) | 65 | 2.180(41.38) | 65 | Minguzzite | K3Fe+++(C2O4)3•3(H2O) |
| 6.900(12.82) | 100 | 11.600(7.61) | 80 | 3.380(26.35) | 80 | Zorite | Na6Ti5[Si12O34](O,OH)5•11(H2O) |
| 6.900(12.82) | 100 | 3.380(26.35) | 80 | 11.600(7.61) | 80 | Zorite | Na6Ti5[Si12O34](O,OH)5•11(H2O) |
| 6.909(12.80) | 100 | 8.898(9.93) | 40 | 3.926(22.63) | 30 | Metakottigite | (Zn,Fe+++,Fe++)3(AsO4)2•8((H2O),OH) |
| 6.910(12.80) | 100 | 2.624(34.14) | 80 | 2.310(38.96) | 80 | Gerhardtite | Cu2(NO3)(OH)3 |
| 6.910(12.80) | 100 | 2.462(36.46) | 90 | 2.669(33.55) | 80 | Rouaite | Cu2(NO3)(OH)3 |
| 6.910(12.80) | 100 | 3.190(27.95) | 100 | 3.090(28.87) | 100 | Parakuzmenkoite-Fe | (K,Ba)2Fe(Ti,Nb)4(Si4O12)2(O,OH)4•7(H2O) |
| 6.910(12.80) | 100 | 3.457(25.75) | 90 | 2.462(36.46) | 80 | Rouaite | Cu2(NO3)(OH)3 |
| 6.910(12.80) | 100 | 2.310(38.96) | 80 | 2.624(34.14) | 80 | Gerhardtite | Cu2(NO3)(OH)3 |
| 6.917(12.79) | 100 | 2.843(31.44) | 80 | 3.777(23.53) | 70 | Seamanite | Mn3(PO4)B(OH)6 |
| 6.920(12.78) | 100 | 4.150(21.39) | 80 | 3.680(24.16) | 70 | Chalconatronite | Na2Cu(CO3)2•3(H2O) |
| 6.920(12.78) | 100 | 3.447(25.83) | 80 | 2.376(37.83) | 35 | Manandonite | Li2Al4[(Si2AlB)O10](OH)8 |
| 6.920(12.78) | 100 | 2.023(44.76) | 98 | 3.596(24.74) | 55 | Yarlongite | (Cr4Fe4Ni)C4 |
| 6.921(12.78) | 100 | 5.870(15.08) | 90 | 3.532(25.19) | 28 | Hoganite | Cu(CH3COO)2•H2O |
| 6.930(12.76) | 100 | 3.210(27.77) | 100 | 3.110(28.68) | 90 | Neskevaaraite-Fe | NaK3Fe(Ti,Nb)4(Si4O12)2(O,OH)4•6(H2O) |
| 6.930(12.76) | 100 | 3.320(26.83) | 90 | 4.380(20.26) | 60 | Caysichite-(Y) | Y2(Ca,Gd)2Si4O10(CO3)3(H2O,O,OH)•3H20 |
| 6.931(12.76) | 100 | 3.091(28.86) | 38 | 3.079(28.98) | 38 | Ezcurrite | Na4B10O17•7(H2O) |
| 6.931(12.76) | 100 | 3.079(28.98) | 38 | 3.091(28.86) | 38 | Ezcurrite | Na4B10O17•7(H2O) |
| 6.935(12.75) | 100 | 5.342(16.58) | 71 | 4.556(19.47) | 41 | Erdite | NaFeS2•2(H2O) |
| 6.940(12.74) | 100 | 3.470(25.65) | 30 | 2.700(33.15) | 25 | Posnjakite | Cu4(SO4)(OH)6•(H2O) |
| 6.940(12.74) | 100 | 3.460(25.73) | 70 | 4.060(21.87) | 50 | Aurorite | (Mn,Ag,Ca)Mn++++3O7•3(H2O) |
| 6.950(12.73) | 100 | 3.310(26.91) | 80 | 4.230(20.98) | 60 | Bearsite | Be2(AsO4)(OH)•4(H2O) |
| 6.960(12.71) | 100 | 2.940(30.38) | 27 | 8.040(11.00) | 18 | Bobierrite | Mg3(PO4)2•8(H2O) |
| 6.960(12.71) | 100 | 3.260(27.33) | 40 | 3.310(26.91) | 40 | Hydrotungstite | H2WO4•(H2O) |
| 6.960(12.71) | 100 | 3.500(25.43) | 60 | 4.080(21.76) | 50 | Chalcophanite | (Zn,Fe++,Mn++)Mn++++3O7•3(H2O) |
| 6.960(12.71) | 100 | 3.222(27.66) | 84 | 3.114(28.64) | 66 | Organovaite-Zn | K2Zn(Nb,Ti)4(Si4O12)2(O,OH)4•6(H2O) |
| 6.960(12.71) | 100 | 3.220(27.68) | 90 | 3.100(28.77) | 80 | Gjerdingenite-Mn | (K,Na)2(Mn,Fe)(Nb,Ti)4(Si4O12)2(O,OH)4•6(H2O) |
| 6.960(12.71) | 100 | 3.210(27.77) | 70 | 4.600(19.28) | 60 | Uranotungstite | (Fe++,Ba,Pb)(UO2)2WO4(OH)4•12(H2O) |
| 6.960(12.71) | 100 | 3.100(28.77) | 90 | 4.940(17.94) | 80 | Gjerdingenite-Mn | (K,Na)2(Mn,Fe)(Nb,Ti)4(Si4O12)2(O,OH)4•6(H2O) |
| 6.960(12.71) | 100 | 3.110(28.68) | 90 | 3.210(27.77) | 80 | Alsakharovite-Zn | NaSrKZn(Ti,Nb)4(Si4O12)2(O,OH)4•7(H2O) |
| 6.960(12.71) | 100 | 3.310(26.91) | 40 | 3.260(27.33) | 40 | Hydrotungstite | H2WO4•(H2O) |
| 6.960(12.71) | 100 | 3.460(25.73) | 75 | 5.150(17.20) | 30 | Hannayite | (NH4)2Mg3H4(PO4)4•8(H2O) |
| 6.965(12.70) | 100 | 3.600(24.71) | 70 | 3.344(26.63) | 70 | Margaritasite | (Cs,K,H3O)2(UO2)2V2O8•(H2O) |
| 6.965(12.70) | 100 | 3.344(26.63) | 70 | 3.600(24.71) | 70 | Margaritasite | (Cs,K,H3O)2(UO2)2V2O8•(H2O) |
| 6.965(12.70) | 100 | 2.230(40.41) | 23 | 3.483(25.55) | 11 | Jianshuiite | (Mg,Mn++)Mn++++3O7•3(H2O) |
| 6.970(12.69) | 100 | 4.810(18.43) | 100 | 4.280(20.74) | 100 | Arthurite | CuFe+++2(AsO4,PO4,SO4)2(O,OH)2•4(H2O) |
| 6.980(12.67) | 100 | 5.850(15.13) | 50 | 8.810(10.03) | 50 | Metahaiweeite | Ca(UO2)2Si6O15•n(H2O), n<5 |
| 6.980(12.67) | 100 | 8.810(10.03) | 50 | 5.850(15.13) | 50 | Metahaiweeite | Ca(UO2)2Si6O15•n(H2O), n<5 |
| 6.990(12.65) | 100 | 3.705(24.00) | 89 | 10.500(8.41) | 57 | Swaknoite | (NH4)2Ca(HPO4)2•(H2O) |
| 6.990(12.65) | 100 | 3.227(27.62) | 89 | 3.123(28.56) | 68 | Organovaite-Mn | K2Mn(Nb,Ti)4(Si4O12)2(O,OH)4•6(H2O) |
| 6.999(12.64) | 100 | 7.189(12.30) | 99 | 2.995(29.81) | 73 | Elyite | Pb4Cu(SO4)O2(OH)4•(H2O) |
| 7.000(12.64) | 100 | 3.278(27.18) | 90 | 4.240(20.93) | 60 | Moraesite | Be2(PO4)(OH)•4(H2O) |
| 7.010(12.62) | 100 | 8.190(10.79) | 80 | 3.020(29.55) | 70 | Manganohornesite | (Mn,Mg)3(AsO4)2•8(H2O) |
| 7.026(12.59) | 100 | 4.996(17.74) | 74 | 7.104(12.45) | 73 | Karupmollerite-Ca | (Na,Ca,K)2Ca(Nb,Ti)4(Si4O12)2(O,OH)4•7(H2O) |
| 7.030(12.58) | 100 | 3.520(25.28) | 70 | 2.650(33.80) | 40 | Fraipontite | (Zn,Al)3(Si,Al)2O5(OH)4 |
| 7.030(12.58) | 100 | 4.420(20.07) | 100 | 12.000(7.36) | 100 | Monteregianite-(Y) | (Na,K)6(Y,Ca)2Si16O38•10(H2O) |
| 7.040(12.56) | 100 | 3.513(25.33) | 100 | 2.514(35.68) | 90 | Orthochamosite | (Fe++,Mg,Fe+++)5Al(Si3Al)O10(OH,O)8 |
| 7.040(12.56) | 100 | 10.200(8.66) | 95 | 4.810(18.43) | 65 | Cobaltarthurite | CoFe+++2(AsO4)2(OH)2•4(H2O) |
| 7.040(12.56) | 100 | 3.003(29.73) | 84 | 3.152(28.29) | 80 | Santaclaraite | CaMn++4Si5O14(OH)2•(H2O) |
| 7.040(12.56) | 100 | 2.990(29.86) | 90 | 3.540(25.14) | 80 | Pentahydroborite | CaB2O(OH)6•2(H2O) |
| 7.050(12.55) | 100 | 3.520(25.28) | 100 | 2.520(35.60) | 90 | Chamosite | (Fe++,Mg,Fe+++)5Al(Si3Al)O10(OH,O)8 |
| 7.059(12.53) | 100 | 3.528(25.22) | 86 | 2.904(30.76) | 78 | Coutinhoite | ThxBa1-2x(H2O)y(UO2)2Si5O13•H2O |
| 7.060(12.53) | 100 | 3.520(25.28) | 100 | 1.925(47.17) | 70 | Amesite | Mg2Al(SiAl)O5(OH)4 |
| 7.060(12.53) | 100 | 3.120(28.59) | 90 | 3.510(25.35) | 80 | Zippeite | K4(UO2)6(SO4)3(OH)10•4(H2O) |
| 7.070(12.51) | 100 | 2.480(36.19) | 81 | 2.620(34.20) | 18 | Brindleyite | (Ni,Mg,Fe++)2Al(SiAl)O5(OH)4 |
| 7.070(12.51) | 100 | 3.540(25.14) | 81 | 2.480(36.19) | 18 | Brindleyite | (Ni,Mg,Fe++)2Al(SiAl)O5(OH)4 |
| 7.080(12.49) | 100 | 3.240(27.51) | 100 | 5.110(17.34) | 80 | Elpidite | Na2ZrSi6O15•3(H2O) |
| 7.080(12.49) | 100 | 3.540(25.14) | 50 | 3.440(25.88) | 40 | Zinc-zippeite | Zn++2(UO2)6(SO4)3(OH)10•16(H2O) |
| 7.080(12.49) | 100 | 3.520(25.28) | 70 | 3.120(28.59) | 50 | Masuyite | Pb[(UO2)3O3(OH)2]•3(H2O) |
| 7.080(12.49) | 100 | 3.128(28.51) | 100 | 3.485(25.54) | 80 | Agrinierite | (K2,Ca,Sr)U3O10•4(H2O) |
| 7.090(12.47) | 100 | 2.516(35.66) | 75 | 2.694(33.23) | 30 | Ramsbeckite | (Cu,Zn)15(SO4)4(OH)22•6(H2O) |
| 7.090(12.47) | 100 | 3.240(27.51) | 90 | 3.150(28.31) | 80 | Tsepinite-Na | (Na,H3O,K,Sr,Ba)2(Ti,Nb)2[Si4O12](OH,O)2•3(H2O) |
| 7.090(12.47) | 100 | 3.240(27.51) | 90 | 3.110(28.68) | 80 | Paratsepinite-Na | (Na,Sr,K,Ca)7(Ti,Nb)8[Si4O12]4(O,OH)8•n(H2O) n ~ 8 |
| 7.090(12.47) | 100 | 3.110(28.68) | 90 | 3.150(28.31) | 80 | Paratsepinite-Na | (Na,Sr,K,Ca)7(Ti,Nb)8[Si4O12]4(O,OH)8•n(H2O) n ~ 8 |
| 7.099(12.46) | 100 | 7.148(12.37) | 97 | 6.568(13.47) | 65 | Nenadkevichite | (Na,Ca,K)(Nb,Ti)Si2O6(O,OH)•2(H2O) |
| 7.100(12.46) | 100 | 6.999(12.64) | 88 | 4.985(17.78) | 78 | Gjerdingenite-Ca | K2Ca(Nb,Ti)4(Si4O12)2(O,OH)4•6H2O |
| 7.100(12.46) | 100 | 5.740(15.42) | 100 | 3.239(27.52) | 70 | Poughite | Fe+++2(TeO3)2(SO4)•3(H2O) |
| 7.100(12.46) | 100 | 3.570(24.92) | 80 | 2.430(36.96) | 80 | Pennantite | Mn5Al(Si3Al)O10(OH)8 |
| 7.100(12.46) | 100 | 3.590(24.78) | 80 | 2.540(35.31) | 70 | Spangolite | Cu6Al(SO4)(OH)12Cl•3(H2O) |
| 7.100(12.46) | 100 | 3.550(25.06) | 45 | 14.200(6.22) | 25 | Nimite | (Ni,Mg,Fe++)5Al(Si3Al)O10(OH)8 |
| 7.100(12.46) | 100 | 2.977(29.99) | 70 | 3.550(25.06) | 50 | Mandarinoite | Fe+++2Se3O9•6(H2O) |
| 7.100(12.46) | 100 | 2.430(36.96) | 80 | 3.570(24.92) | 80 | Pennantite | Mn5Al(Si3Al)O10(OH)8 |
| 7.100(12.46) | 100 | 2.330(38.61) | 80 | 3.550(25.06) | 70 | Orthochrysotile | Mg3Si2O5(OH)4 |
| 7.110(12.44) | 100 | 4.116(21.57) | 100 | 3.201(27.85) | 100 | Gobbinsite | (Na2,Ca)2K2Al6Si10O32•12(H2O) |
| 7.110(12.44) | 100 | 3.950(22.49) | 100 | 1.914(47.46) | 90 | Paratsepinite-Ba | (Ba,Na,K)2-x(Ti,Nb)2(Si4O12)(OH,O)2•4(H2O) |
| 7.110(12.44) | 100 | 5.570(15.90) | 90 | 8.980(9.84) | 80 | Weeksite | K2(UO2)2Si6O15•4(H2O) |
| 7.110(12.44) | 100 | 9.720(9.09) | 90 | 2.318(38.82) | 50 | Redgillite | Cu6(OH)10(SO4)•H2O |
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