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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=71351 Help
TitleCation substitution in the apatite tetrahedral site: crystal structures of type hydroxylellestadtite and type fermorite.
AuthorsHughes, J.M.;Drexler, J.W.
ReferenceNeues Jahrbuch fuer Mineralogie. Monatsh (1991) 1991, 327-336
Link XRef SCOPUS Google
CompoundH1.31 As2.58 Ca8.4 F0.69 O25.31 P3.42 Sr1.6 - [Fermorite] Calcium strontium arsenate phosphate fluoride hydroxide * [A6B10XY25] [mP43] [f5 e13] []
Cell9.5935(20), 9.5966(20), 6.9754(20), 90., 90., 119.971(10)
P1121/M (11) V=556.32
RemarksR=0.027000 : D M =Fermorite : P =14-215 :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
Mean T-O: 1.601, 1.602, 1.599
PDF 14-215, psseudohexagonal

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4f)2
Sr1(4f)2
Ca2(2e)2
Sr2(2e)2
Ca3(2e)2
Sr3(2e)2
Ca4(2e)2
Sr4(2e)2
As1(2e)5
P1(2e)5
As2(2e)5
P2(2e)5
As3(2e)5
P3(2e)5
O1(2e)-2
O2(2e)-2
O3(2e)-2
O4(2e)-2
O5(2e)-2
O6(2e)-2
O7(4f)-2
O8(4f)-2
O9(4f)-2
O10(4f)-2
F1(2e)-1
H1(4f)1
0.330.660.0000.84
0.330.660.0000.16
0.000.250.2500.84
0.000.250.2500.16
0.740.750.2500.84
0.740.750.2500.16
0.240.990.2500.84
0.240.990.2500.16
0.630.020.2500.43
0.630.020.2500.57
0.970.600.2500.43
0.970.600.2500.57
0.390.360.2500.43
0.390.360.2500.57
0.320.480.2501
0.510.830.2501
0.160.670.2501
0.590.460.2501
0.530.120.2501
0.870.400.2501
0.340.250.0601
0.740.080.0601
-.080.650.0601
-.00-.000.192.3(0.32
0.000.000.252.0(0.34
00.32
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Ca1(4f)2
Sr1(4f)2
Ca2(2e)2
Sr2(2e)2
Ca3(2e)2
Sr3(2e)2
Ca4(2e)2
Sr4(2e)2
As1(2e)5
P1(2e)5
As2(2e)5
P2(2e)5
As3(2e)5
P3(2e)5
O1(2e)-2
O2(2e)-2
O3(2e)-2
O4(2e)-2
O5(2e)-2
O6(2e)-2
O7(4f)-2
O8(4f)-2
O9(4f)-2
O10(4f)-2
F1(2e)-1
H1(4f)1
0.000.000.000.000.00-.00
0.000.000.000.000.00-.00
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.000.0000
0.000.000.010.0000
0.000.000.010.0000
0.000.000.010.0000
0.010.000.000.01-.01-.00
0.000.000.000.000.00-.00
0.000.010.000.010.000.01
000000
000000
000000

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