X-Ray Diffraction Table

X-Ray Diffraction Table

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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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Listing of 140 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.5574 AND d1 < 3.7026)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.558(25.01) 100 3.101(28.77) 82 3.974(22.35) 72 Svenekite Ca(H2AsO4)2
3.559(25.00) 100 7.130(12.40) 47 3.078(28.99) 45 Natronambulite (Na,Li)Mn++4[Si5O14(OH)]
3.560(24.99) 100 1.101(88.79) 90 1.308(72.16) 90 Gladite PbCuBi5S9
3.560(24.99) 100 1.101(88.79) 90 1.082(90.78) 90 Gladite PbCuBi5S9
3.560(24.99) 100 9.700(9.11) 80 2.480(36.19) 80 IMA2009-009 KNa2Li(Mg,Fe)2Ti2Si8O24
3.560(24.99) 100 8.810(10.03) 80 5.820(15.21) 50 Cuprocopiapite CuFe+++4(SO4)6(OH)2•20(H2O)
3.560(24.99) 100 8.550(10.34) 100 5.070(17.48) 60 Metakirchheimerite Co(UO2)2(AsO4)2•8(H2O)
3.560(24.99) 100 5.990(14.78) 28 4.350(20.40) 23 Mikasaite Fe+++2(SO4)3
3.560(24.99) 100 3.470(25.65) 58 4.800(18.47) 52 Museumite Pb2(Pb,Sb)2S8[Te,Au]2
3.560(24.99) 100 3.040(29.36) 80 3.200(27.86) 70 Uralolite Ca2Be4(PO4)3(OH)3•5(H2O)
3.560(24.99) 100 2.910(30.70) 80 1.779(51.31) 65 Sulphohalite Na6(SO4)2FCl
3.560(24.99) 100 2.553(35.12) 70 3.820(23.27) 50 Chenevixite Cu2Fe+++2(AsO4)2(OH)4•(H2O)
3.560(24.99) 100 2.480(36.19) 80 9.700(9.11) 80 IMA2009-009 KNa2Li(Mg,Fe)2Ti2Si8O24
3.560(24.99) 100 1.829(49.81) 90 1.778(51.35) 80 Umangite Cu3Se2
3.560(24.99) 100 1.818(50.14) 55 2.640(33.93) 50 Cahnite Ca2B(AsO4)(OH)4
3.560(24.99) 100 1.082(90.78) 90 1.101(88.79) 90 Gladite PbCuBi5S9
3.560(24.99) 100 1.824(49.96) 75 2.660(33.67) 50 Wakefieldite-(Y) YVO4
3.561(24.98) 100 3.058(29.18) 39 2.715(32.96) 39 Carlosruizite K6(Na,K)4Na6Mg10(Se++++++O4)12(IO3)12•12(H2O)
3.561(24.98) 100 2.715(32.96) 39 3.058(29.18) 39 Carlosruizite K6(Na,K)4Na6Mg10(Se++++++O4)12(IO3)12•12(H2O)
3.562(24.98) 100 2.833(31.55) 80 4.673(18.98) 55 Parisite-(Ce) Ca(Ce,La)2(CO3)3F2
3.564(24.96) 100 2.654(33.74) 75 2.961(30.16) 70 Danburite CaB2(SiO4)2
3.569(24.93) 100 3.008(29.67) 80 2.505(35.82) 80 Boromuscovite KAl2(Si3B)O10(OH,F)2
3.569(24.93) 100 2.505(35.82) 80 3.008(29.67) 80 Boromuscovite KAl2(Si3B)O10(OH,F)2
3.569(24.93) 100 3.118(28.61) 80 3.530(25.21) 60 Bismuthinite Bi2S3
3.570(24.92) 100 8.650(10.22) 100 3.310(26.91) 90 Metauranopilite (UO2)6(SO4)(OH)10•5(H2O)
3.570(24.92) 100 3.239(27.52) 77 2.922(30.57) 67 Roedderite (Na,K)2(Mg,Fe++)5Si12O30
3.570(24.92) 100 5.030(17.62) 80 8.890(9.94) 80 Heinrichite Ba(UO2)2(AsO4)2•10-12(H2O)
3.570(24.92) 100 8.650(10.22) 100 3.310(26.91) 90 Metauranospinite Ca(UO2)2(AsO4)2•8(H2O)
3.570(24.92) 100 8.890(9.94) 80 5.030(17.62) 80 Heinrichite Ba(UO2)2(AsO4)2•10-12(H2O)
3.573(24.90) 100 2.135(42.30) 90 2.808(31.84) 80 Chabourneite (Tl,Pb)21(Sb,As)91S147
3.574(24.89) 100 2.906(30.74) 45 3.617(24.59) 40 Matlockite PbFCl
3.580(24.85) 100 7.200(12.28) 80 3.480(25.58) 80 Magnesiozippeite Mg(H2O)3.5(UO2)2(SO4)O2
3.580(24.85) 100 3.300(27.00) 100 2.730(32.78) 100 Vaterite CaCO3
3.580(24.85) 100 2.749(32.54) 100 4.800(18.47) 90 Edingtonite BaAl2Si3O10•4(H2O)
3.580(24.85) 100 3.080(28.97) 100 4.200(21.14) 100 Dalyite K2ZrSi6O15
3.580(24.85) 100 2.591(34.59) 90 1.704(53.75) 80 Krivovichevite Pb3[Al(OH)6](SO4)(OH)
3.580(24.85) 100 3.480(25.58) 80 7.200(12.28) 80 Magnesiozippeite Mg(H2O)3.5(UO2)2(SO4)O2
3.580(24.85) 100 3.590(24.78) 60 2.882(31.00) 55 Lorandite TlAsS2
3.580(24.85) 100 7.150(12.37) 100 2.330(38.61) 90 Dickite Al2Si2O5(OH)4
3.580(24.85) 100 3.190(27.95) 90 7.630(11.59) 90 Chapmanite Sb+++Fe+++2(SiO4)2(OH)
3.580(24.85) 100 7.630(11.59) 90 3.190(27.95) 90 Chapmanite Sb+++Fe+++2(SiO4)2(OH)
3.581(24.84) 100 3.890(22.84) 73 2.778(32.20) 56 Cotunnite PbCl2
3.581(24.84) 100 2.191(41.17) 56 1.870(48.65) 47 Frankdicksonite BaF2
3.583(24.83) 100 2.891(30.91) 100 7.250(12.20) 100 Schneiderhohnite Fe++Fe+++3As+++5O13
3.584(24.82) 100 3.161(28.21) 100 3.644(24.41) 100 Friedrichite Pb5Cu5Bi7S18
3.587(24.80) 100 3.139(28.41) 25 7.210(12.27) 20 Clinoclase Cu3(AsO4)(OH)3
3.590(24.78) 100 3.310(26.91) 100 3.070(29.06) 100 Polylithionite KLi2AlSi4O10(F,OH)2
3.590(24.78) 100 8.660(10.21) 70 2.980(29.96) 60 Metalodevite Zn(UO2)2(AsO4)2•10(H2O)
3.590(24.78) 100 2.700(33.15) 90 3.490(25.50) 90 Pierrotite Tl2Sb6As4S16
3.590(24.78) 100 8.550(10.34) 90 4.290(20.69) 60 Metakahlerite Fe++(UO2)2(AsO4)2•8(H2O)
3.590(24.78) 100 1.540(60.02) 100 4.360(20.35) 100 Neotocite (Mn,Fe++)SiO3•(H2O) (?)
3.590(24.78) 100 3.490(25.50) 90 2.700(33.15) 90 Pierrotite Tl2Sb6As4S16
3.590(24.78) 100 10.300(8.58) 100 5.200(17.04) 70 Zeunerite Cu(UO2)2(AsO4)2•10-16(H2O)
3.593(24.76) 100 3.316(26.86) 90 3.024(29.51) 80 Althausite Mg2(PO4)(OH,F,O)
3.593(24.76) 100 3.498(25.44) 50 2.487(36.09) 32 Cerussite PbCO3
3.599(24.72) 100 5.804(15.25) 74 2.814(31.77) 66 Uzonite As4S5
3.600(24.71) 100 3.090(28.87) 100 3.060(29.16) 100 Ziesite Cu2V+++++2O7
3.600(24.71) 100 1.840(49.50) 90 3.130(28.49) 80 Orlymanite Ca4Mn++3Si8O20(OH)6•2(H2O)
3.600(24.71) 100 3.180(28.04) 80 5.190(17.07) 70 Tisinalite Na3H3(Mn++,Ca,Fe)TiSi6(O,OH)18•2(H2O)
3.600(24.71) 100 3.410(26.11) 90 5.550(15.96) 70 Chenite Pb4Cu(SO4)2(OH)6
3.600(24.71) 100 8.340(10.60) 90 4.230(20.98) 40 Metauranocircite Ba(UO2)2(PO4)2•6-8(H2O)
3.600(24.71) 100 3.490(25.50) 100 3.280(27.16) 100 Iranite Pb10Cu(CrO4)6(SiO4)2(F,OH)2
3.603(24.69) 100 9.750(9.06) 100 3.816(23.29) 90 Amstallite CaAl(Si,Al)4O8(OH)4•((H2O),Cl)
3.607(24.66) 100 2.799(31.95) 85 2.777(32.21) 40 Kamaishilite Ca2Al2SiO6(OH)2
3.610(24.64) 100 7.250(12.20) 100 3.170(28.13) 75 Vandendriesscheite Pb(UO2)10O6(OH)11•11(H2O)
3.610(24.64) 100 7.250(12.20) 100 3.170(28.13) 80 Metavandendriesscheite PbU7O22•n(H2O)(n<12)
3.610(24.64) 100 9.080(9.73) 90 1.619(56.82) 60 Przhevalskite Pb(UO2)2(PO4)2•4(H2O)
3.619(24.58) 100 2.635(33.99) 80 3.437(25.90) 60 Fleischerite Pb3Ge(SO4)2(OH)6•3(H2O)
3.620(24.57) 100 3.120(28.59) 100 2.630(34.06) 100 Garavellite FeSbBiS4
3.620(24.57) 100 3.150(28.31) 50 3.320(26.83) 50 Giessenite Pb13(Cu,Ag)(Bi,Sb)9S28 (?)
3.620(24.57) 100 3.510(25.35) 90 2.786(32.10) 90 Pekovite SrB2Si2O8
3.620(24.57) 100 2.786(32.10) 90 3.510(25.35) 90 Pekovite SrB2Si2O8
3.620(24.57) 100 2.680(33.41) 55 1.850(49.21) 45 Chromatite CaCrO4
3.620(24.57) 100 2.570(34.88) 70 1.749(52.26) 60 Corderoite Hg3S2Cl2
3.620(24.57) 100 2.021(44.81) 70 3.390(26.27) 60 Maleevite BaB2Si2O8
3.620(24.57) 100 3.390(26.27) 70 6.070(14.58) 60 Maleevite BaB2Si2O8
3.620(24.57) 100 3.320(26.83) 50 3.150(28.31) 50 Giessenite Pb13(Cu,Ag)(Bi,Sb)9S28 (?)
3.621(24.56) 100 4.436(2-) 70 3.069(29.07) 50 Waterhouseite Mn7(PO4)2(OH)8
3.623(24.55) 100 7.883(11.22) 97 2.938(30.40) 57 Plumbophyllite Pb2Si4O10•H2O
3.623(24.55) 100 6.443(13.73) 50 2.615(34.26) 40 Dolerophanite Cu2(SO4)O
3.627(24.52) 100 1.911(47.54) 90 3.100(28.77) 80 Freudenbergite Na2Fe+++2Ti6O16
3.630(24.50) 100 10.920(8.09) 100 5.460(16.22) 80 Priceite Ca2B5O7(OH)5•H2O
3.630(24.50) 100 2.100(43.04) 80 6.300(14.05) 80 Sodalite Na8Al6Si6O24Cl2
3.630(24.50) 100 6.300(14.05) 80 2.100(43.04) 80 Sodalite Na8Al6Si6O24Cl2
3.630(24.50) 100 2.836(31.52) 93 3.136(28.44) 92 Paarite Cu1.7Pb1.7Bi6.3S12
3.630(24.50) 100 3.200(27.86) 100 2.590(34.60) 80 Magbasite KBa(Al,Sc)(Mg,Fe++)6Si6O20F2
3.631(24.50) 100 2.836(31.52) 94 3.136(28.44) 93 Salzburgite Cu1.6Pb1.6Bi6.4S12
3.642(24.42) 100 6.960(12.71) 40 4.489(19.76) 30 Veszelyite (Cu,Zn)2ZnPO4(OH)3•2(H2O)
3.644(24.41) 100 3.584(24.82) 100 3.161(28.21) 100 Friedrichite Pb5Cu5Bi7S18
3.650(24.37) 100 3.120(28.59) 80 14.700(6.01) 70 Plumbotsumite Pb5Si4O8(OH)10
3.650(24.37) 100 5.930(14.93) 100 2.968(30.08) 80 Whewellite Ca(C2O4)•(H2O)
3.650(24.37) 100 2.870(31.14) 100 3.900(22.78) 100 Sahamalite-(Ce) (Mg,Fe++)Ce2(CO3)4
3.655(24.33) 100 3.481(25.57) 80 2.675(33.47) 62 Mallestigite Pb3Sb+++++(SO4)(AsO4)(OH)6•3(H2O)
3.656(24.33) 100 2.739(32.67) 60 4.850(18.28) 40 Dreyerite BiVO4
3.656(24.33) 100 2.852(31.34) 95 3.567(24.94) 81 Emilite Cu2.68Pb2.68Bi5.32S12
3.660(24.30) 100 4.110(21.60) 90 8.260(10.70) 70 Prewittite KPb1.5ZnCu6O2(SeO3)2Cl10
3.660(24.30) 100 2.640(33.93) 40 1.830(49.79) 35 Salesite Cu(IO3)(OH)
3.660(24.30) 100 3.080(28.97) 81 8.320(10.62) 71 Protoanthophyllite (Mg,Fe)7Si8O22(OH)2
3.660(24.30) 100 4.460(19.89) 82 6.330(13.98) 60 Tsaregorodtsevite N(CH3)4AlSi5O12
3.660(24.30) 100 3.540(25.14) 100 4.000(22.21) 90 Nuffieldite Pb2Cu(Pb,Bi)Bi2S7

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