Hydrogarnet
Cohen-Addad C, Ducros P, Durif A, Bertaut E, Delapalme A
Journal de Physique 25 (1964) 478-483
Determination de la position des atomes d'hydrogene dans l'hydrogrinat
Al2 O3, (Ca O)3 (H2 O)6 par resonance magnetique nucleaire et
diffraction neutronique
_cod_database_code 1007235
_database_code_amcsd 0015917
CELL PARAMETERS: 12.5700 12.5700 12.5700 90.000 90.000 90.000
SPACE GROUP: Ia3d
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1986.121
Density (g/cm3): 2.530
MAX. ABS. INTENSITY / VOLUME**2: 8.784471885
RIR: 1.131
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
17.28 100.00 5.1317 2 1 1 24
19.98 45.90 4.4442 2 2 0 12
26.53 42.09 3.3595 3 2 1 48
28.40 37.50 3.1425 4 0 0 6
31.84 69.34 2.8107 4 2 0 24
33.44 4.54 2.6799 3 3 2 24
34.97 17.01 2.5658 4 2 2 24
36.45 18.84 2.4652 4 3 1 48
39.26 94.59 2.2950 5 2 1 48
40.60 4.21 2.2221 4 4 0 12
44.43 42.48 2.0391 6 1 1 24
44.43 34.80 2.0391 5 3 2 48
45.65 6.35 1.9875 6 2 0 24
50.29 8.55 1.8143 4 4 4 8
51.40 2.14 1.7777 5 4 3 48
52.50 41.71 1.7431 6 4 0 24
53.57 17.68 1.7106 5 5 2 24
53.57 6.14 1.7106 7 2 1 48
54.64 48.20 1.6797 6 4 2 48
57.75 13.44 1.5964 6 5 1 48
58.77 15.14 1.5712 8 0 0 6
60.76 2.78 1.5243 8 2 0 24
61.74 2.20 1.5024 6 5 3 48
62.72 4.30 1.4814 8 2 2 24
63.68 1.48 1.4612 7 4 3 48
66.54 15.16 1.4054 8 4 0 24
68.40 3.14 1.3715 8 4 2 48
69.33 3.73 1.3555 6 5 5 24
69.33 1.95 1.3555 9 2 1 48
70.25 10.06 1.3400 6 6 4 24
72.97 2.51 1.2965 9 3 2 48
72.97 1.49 1.2965 7 6 3 48
73.87 2.71 1.2829 8 4 4 24
74.77 2.23 1.2698 9 4 1 48
74.77 2.13 1.2698 8 5 3 48
76.55 1.51 1.2446 7 7 2 24
80.07 2.12 1.1985 9 5 2 48
80.07 5.70 1.1985 7 6 5 48
82.68 6.13 1.1671 10 4 0 24
82.68 4.93 1.1671 8 6 4 48
83.55 3.41 1.1572 9 6 1 48
84.42 10.98 1.1475 10 4 2 48
87.01 3.88 1.1198 11 2 1 48
87.01 6.24 1.1198 10 5 1 48
87.01 1.21 1.1198 9 6 3 48
87.87 3.85 1.1110 8 8 0 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.