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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleA new structure type in mixed valence fluorinated compounds: K5Cr4(2+)Cr6(3+)F31.
AuthorsLaligant, Y.;LeBail, A.;le Blanc, M.;Ferey, G.
ReferenceIC&volume=85&fpage=151&details=yes target=icsd_help>Journal of Solid State Chemistry (1990) 85, 151-158
Link XRef SCOPUS Google
CompoundCr10 F31 K5 - Pentapotassium tetrachromium(II) hexachromium fluoride [A4B5C6X31] [mS368] [j30 i30 h g] []
Cell21.576(1), 7.6081(6), 32.865(4), 90., 109.24, 90.
C12/M1 (12) V=5093.55
RemarksR=0.040000 : M =Cr :

Atom (site) Oxid. x, y, z, B, Occupancy
Cr1(8j)2
Cr2(8j)2
Cr3(8j)2
Cr4(8j)2
Cr5(8j)3
Cr6(8j)3
Cr7(8j)3
Cr8(8j)3
Cr9(8j)3
Cr10(8j)3
K1(4i)1
K2(4i)1
K3(4i)1
K4(4i)1
K5(4i)1
K6(4i)1
K7(4i)1
K8(4i)1
K9(4i)1
K10(4i)1
F1(4i)-1
F2(4i)-1
F3(4i)-1
F4(4i)-1
F5(4i)-1
F6(4i)-1
F7(4i)-1
F8(4i)-1
F9(4i)-1
F10(4i)-1
F11(4i)-1
F12(4i)-1
F13(4i)-1
F14(4i)-1
F15(4i)-1
F16(4i)-1
F17(4i)-1
F18(4i)-1
F19(4i)-1
F20(4i)-1
F21(8j)-1
F22(8j)-1
F23(8j)-1
F24(8j)-1
F25(8j)-1
F26(8j)-1
F27(8j)-1
F28(8j)-1
F29(8j)-1
F30(8j)-1
F31(8j)-1
F32(8j)-1
F33(8j)-1
F34(8j)-1
F35(8j)-1
F36(8j)-1
F37(8j)-1
F38(8j)-1
F39(4h)-1
F40(4g)-1
F41(8j)-1
F42(8j)-1
0.020.240.1901
0.320.250.3001
0.130.240.4001
0.230.240.0901
0.000.240.2901
0.200.250.2001
0.890.250.0901
0.290.240.4001
0.070.250.4801
0.090.250.0101
0.2500.5001
0.250-.0001
0.8400.1901
0.860.50.2001
0.1500.3001
0.160.50.3001
0.9500.3901
0.950.50.3701
0.0700.1101
0.050.50.1101
0.0400.2001
0.000.50.1901
0.3400.3001
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0.230.50.0801
0.0200.2901
0.980.50.2801
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0.200.50.2101
0.8800.0901
0.910.50.0901
0.3100.4001
0.290.50.3901
0.0500.4801
0.090.50.4901
0.0700.0101
0.100.50.0001
0.060.280.2601
0.300.240.2301
0.860.260.1401
0.220.230.3501
0.980.220.1301
0.350.250.3601
0.800.280.0601
0.240.230.4301
0.190.220.2501
0.940.220.2301
0.940.210.3201
0.110.250.1701
0.150.210.4701
0.180.210.0201
0.100.270.0701
0.030.260.4201
0.920.220.0401
0.370.270.4501
00.290.501
00.29001
0.070.290.3401
0.230.290.1501
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Cr1(8j)2
Cr2(8j)2
Cr3(8j)2
Cr4(8j)2
Cr5(8j)3
Cr6(8j)3
Cr7(8j)3
Cr8(8j)3
Cr9(8j)3
Cr10(8j)3
K1(4i)1
K2(4i)1
K3(4i)1
K4(4i)1
K5(4i)1
K6(4i)1
K7(4i)1
K8(4i)1
K9(4i)1
K10(4i)1
F1(4i)-1
F2(4i)-1
F3(4i)-1
F4(4i)-1
F5(4i)-1
F6(4i)-1
F7(4i)-1
F8(4i)-1
F9(4i)-1
F10(4i)-1
F11(4i)-1
F12(4i)-1
F13(4i)-1
F14(4i)-1
F15(4i)-1
F16(4i)-1
F17(4i)-1
F18(4i)-1
F19(4i)-1
F20(4i)-1
F21(8j)-1
F22(8j)-1
F23(8j)-1
F24(8j)-1
F25(8j)-1
F26(8j)-1
F27(8j)-1
F28(8j)-1
F29(8j)-1
F30(8j)-1
F31(8j)-1
F32(8j)-1
F33(8j)-1
F34(8j)-1
F35(8j)-1
F36(8j)-1
F37(8j)-1
F38(8j)-1
F39(4h)-1
F40(4g)-1
F41(8j)-1
F42(8j)-1
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0.000.020.0300.010
0.030.010.00-.00-.000.00
0.030.020.01-.000.01-.00

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