Ba Fe0.233 Mn0.767 O2.87
Caignaert V, Hervieu M, Domenges B, Nguyen N, Pannetier J, Raveau B
Journal of Solid State Chemistry 73 (1988) 107-117
BaMn1-xFexO3-d, and Oxygen-Deficient 6H' Oxide Electron
Microscopy, Powder Neutron Diffraction, and Mossbauer Study
_cod_database_code 1001348
_database_code_amcsd 0013610
CELL PARAMETERS: 5.6870 5.6870 14.1670 90.000 90.000 120.000
SPACE GROUP: P-6m2
X-RAY WAVELENGTH: 1.541838
Cell Volume: 396.803
Density (g/cm3): 5.985
MAX. ABS. INTENSITY / VOLUME**2: 114.5757271
RIR: 6.234
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
6.24 2.77 14.1670 0 0 1 2
12.50 1.25 7.0835 0 0 2 2
21.98 5.84 4.0437 1 0 2 6
26.14 71.40 3.4086 1 0 3 6
31.10 31.50 2.8754 1 0 4 6
31.46 100.00 2.8435 1 1 0 6
36.59 13.06 2.4560 1 0 5 6
37.05 2.44 2.4262 2 0 1 6
38.11 9.89 2.3612 0 0 6 2
38.71 4.59 2.3260 2 0 2 6
41.35 46.81 2.1835 2 0 3 6
42.46 9.56 2.1291 1 0 6 6
44.83 14.96 2.0219 2 0 4 6
45.18 1.56 2.0071 1 1 5 12
48.64 5.01 1.8720 1 0 7 6
49.01 9.30 1.8587 2 0 5 6
50.22 6.42 1.8165 1 1 6 12
50.71 1.25 1.8004 2 1 2 12
52.87 14.67 1.7318 2 1 3 12
53.79 8.21 1.7043 2 0 6 6
55.11 1.81 1.6664 1 0 8 6
55.79 10.26 1.6478 2 1 4 12
56.01 16.00 1.6417 3 0 0 3
59.08 3.71 1.5636 2 0 7 6
59.41 6.47 1.5558 2 1 5 12
61.88 6.72 1.4994 1 0 9 6
63.65 6.23 1.4618 2 1 6 12
64.85 1.24 1.4377 2 0 8 6
65.67 14.89 1.4217 2 2 0 6
68.48 3.44 1.3701 2 1 7 12
68.98 1.09 1.3615 1 0 10 6
69.77 2.01 1.3479 3 0 6 6
71.08 7.75 1.3263 2 0 9 6
71.96 6.19 1.3122 3 1 3 12
73.86 1.31 1.2830 2 1 8 12
74.44 3.74 1.2745 3 1 4 12
77.59 2.25 1.2304 3 1 5 12
78.54 3.87 1.2180 2 2 6 12
79.79 4.90 1.2020 2 1 9 12
80.64 3.88 1.1914 4 0 3 6
81.39 2.10 1.1824 3 1 6 12
81.54 1.26 1.1806 0 0 12 2
83.04 1.60 1.1630 4 0 4 6
85.83 1.52 1.1322 3 1 7 12
86.11 1.18 1.1293 4 0 5 6
86.29 1.09 1.1274 2 1 10 12
89.10 1.14 1.0989 3 2 3 12
89.84 1.35 1.0917 4 0 6 6
89.99 3.01 1.0903 1 1 12 12
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.