Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl
Sundaresan A, Michel C, Raveau B, Huong P
Chemistry of Materials 9 (1997) 2212-2217
Charge-transfer-induced insulator-superconductor transition in
TlBa2-xSrxCa0.4Pr0.6Cu2O7-d: a joint neutron/X ray Rietveld refinement,
infrared absorption, and Raman scattering studies
_cod_database_code 1001790
_database_code_amcsd 0012213
CELL PARAMETERS: 3.8842 3.8842 12.5430 90.000 90.000 90.000
SPACE GROUP: P4/mmm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 189.232
Density (g/cm3): 7.162
MAX. ABS. INTENSITY / VOLUME**2: 173.8791793
RIR: 7.905
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
7.05 6.92 12.5430 0 0 1 2
14.12 2.09 6.2715 0 0 2 2
21.25 1.04 4.1810 0 0 3 2
23.98 12.13 3.7103 1 0 1 8
27.00 40.26 3.3021 1 0 2 8
28.46 6.29 3.1358 0 0 4 2
31.44 100.00 2.8457 1 0 3 8
32.60 69.55 2.7465 1 1 0 4
33.40 4.90 2.6829 1 1 1 8
35.79 16.22 2.5086 0 0 5 2
36.84 11.03 2.4399 1 0 4 8
42.92 2.01 2.1073 1 0 5 8
43.28 4.57 2.0905 0 0 6 2
43.82 14.93 2.0661 1 1 4 8
46.78 30.68 1.9421 2 0 0 4
49.19 13.26 1.8523 1 1 5 8
49.52 2.72 1.8408 1 0 6 8
50.96 1.46 1.7919 0 0 7 2
53.24 1.06 1.7206 2 1 1 16
54.84 7.19 1.6740 2 1 2 16
55.22 7.45 1.6635 1 1 6 8
55.67 2.17 1.6511 2 0 4 8
56.56 10.12 1.6271 1 0 7 8
57.45 26.03 1.6041 2 1 3 16
58.90 1.89 1.5679 0 0 8 2
60.27 8.95 1.5357 2 0 5 8
60.98 5.44 1.5195 2 1 4 16
61.82 2.22 1.5007 1 1 7 8
64.04 3.75 1.4539 1 0 8 8
65.61 3.07 1.4228 2 0 6 8
68.30 6.66 1.3733 2 2 0 4
68.97 1.87 1.3616 1 1 8 8
71.66 2.44 1.3169 2 0 7 8
75.85 1.08 1.2543 0 0 10 2
76.36 5.52 1.2472 2 1 7 16
76.68 1.44 1.2428 1 1 9 8
77.12 4.03 1.2368 3 0 3 8
77.75 5.82 1.2283 3 1 0 8
78.39 1.97 1.2199 2 0 8 8
79.58 2.49 1.2046 2 2 5 8
80.21 1.29 1.1967 3 0 4 8
82.96 2.31 1.1639 2 1 8 16
84.76 1.41 1.1437 3 1 4 16
85.01 2.33 1.1410 1 1 10 8
88.67 2.11 1.1031 3 1 5 16
89.60 3.46 1.0941 1 0 11 8
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.