Strontium oxalate
Vanhoyland G, Bouree F, Van Bael M K, Mullens J, Van Poucke L C
Journal of Solid State Chemistry 157 (2001) 283-288
Structure determination and refinement of acid strontium oxalate from X-ray
and neutron powder diffraction
_cod_database_code 1000002
_database_code_amcsd 0013996
CELL PARAMETERS: 6.3410 16.8800 5.7798 90.000 97.600 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 613.213
Density (g/cm3): 2.585
MAX. ABS. INTENSITY / VOLUME**2: 7.930344422
RIR: 0.999
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.48 32.99 8.4400 0 2 0 2
15.04 78.76 5.8902 1 1 0 4
17.59 65.61 5.0410 1 2 0 4
18.72 100.00 4.7401 0 2 1 4
19.54 20.90 4.5438 -1 0 1 2
20.24 32.58 4.3876 -1 1 1 4
21.05 3.32 4.2200 0 4 0 2
21.19 6.87 4.1922 1 3 0 4
22.14 3.67 4.0144 0 3 1 4
22.34 14.55 3.9801 1 0 1 2
22.96 1.28 3.8739 1 1 1 4
24.73 30.67 3.5999 1 2 1 4
25.19 9.32 3.5351 -1 3 1 4
25.42 3.27 3.5036 1 4 0 4
26.23 88.36 3.3977 0 4 1 4
27.45 17.35 3.2493 1 3 1 4
28.87 10.89 3.0921 -1 4 1 4
28.90 11.67 3.0896 2 1 0 4
30.05 20.29 2.9741 1 5 0 4
30.35 1.02 2.9451 2 2 0 4
30.74 9.68 2.9086 0 5 1 4
30.88 2.52 2.8955 1 4 1 4
31.05 58.06 2.8803 -2 1 1 4
31.22 27.99 2.8645 0 0 2 2
31.81 23.23 2.8133 0 6 0 2
32.41 1.53 2.7622 -2 2 1 4
32.64 80.77 2.7437 2 3 0 4
33.02 1.64 2.7125 0 2 2 4
33.03 11.86 2.7116 -1 1 2 4
34.33 14.24 2.6124 -1 2 2 4
34.58 2.39 2.5940 -2 3 1 4
34.73 40.11 2.5827 2 1 1 4
34.85 3.94 2.5746 1 5 1 4
35.16 2.04 2.5527 0 3 2 4
35.55 8.55 2.5253 0 6 1 4
35.97 2.20 2.4965 2 2 1 4
36.39 13.59 2.4687 -1 3 2 4
37.60 12.44 2.3920 -1 6 1 4
37.73 33.14 2.3842 1 2 2 4
37.96 2.61 2.3702 2 3 1 4
37.96 5.47 2.3701 0 4 2 4
39.13 13.45 2.3024 -1 4 2 4
39.16 1.75 2.3003 2 5 0 4
39.21 31.64 2.2974 1 6 1 4
39.64 4.28 2.2735 1 3 2 4
40.05 9.48 2.2514 1 7 0 4
40.59 6.42 2.2226 0 7 1 4
40.60 3.35 2.2219 2 4 1 4
40.83 21.92 2.2099 -2 5 1 4
41.15 11.65 2.1938 -2 2 2 4
42.20 1.03 2.1416 1 4 2 4
42.42 12.65 2.1309 -1 5 2 4
42.44 4.12 2.1300 -1 7 1 4
42.86 2.51 2.1100 0 8 0 2
42.93 25.46 2.1067 -2 3 2 4
43.53 11.74 2.0791 3 1 0 4
43.81 13.10 2.0666 2 5 1 4
43.90 6.82 2.0624 1 7 1 4
44.01 5.12 2.0574 -3 0 1 2
44.36 1.74 2.0423 -3 1 1 4
45.17 24.00 2.0072 0 6 2 4
45.31 4.03 2.0015 1 5 2 4
45.34 6.74 2.0003 1 8 0 4
45.37 5.14 1.9988 -3 2 1 4
45.83 16.20 1.9800 0 8 1 4
45.92 5.35 1.9764 2 1 2 4
46.24 3.63 1.9634 3 3 0 4
47.03 9.00 1.9323 -3 3 1 4
47.51 4.16 1.9137 -1 8 1 4
47.53 1.15 1.9131 2 7 0 4
47.92 2.18 1.8984 -1 0 3 2
47.94 1.89 1.8976 0 1 3 4
48.18 3.45 1.8887 3 0 1 2
48.24 4.43 1.8865 -1 1 3 4
48.29 5.03 1.8848 -2 5 2 4
48.50 3.40 1.8770 3 1 1 4
48.51 8.01 1.8766 3 4 0 4
48.52 19.21 1.8762 2 3 2 4
48.85 4.76 1.8642 1 8 1 4
48.90 1.69 1.8627 1 6 2 4
48.90 17.61 1.8626 0 2 3 4
48.97 6.63 1.8602 -2 7 1 4
49.19 2.22 1.8521 -1 2 3 4
49.27 5.06 1.8493 -3 4 1 4
49.45 1.30 1.8431 3 2 1 4
50.35 1.87 1.8123 -1 7 2 4
50.72 1.62 1.7999 2 4 2 4
50.76 9.33 1.7988 -1 3 3 4
50.76 1.82 1.7986 -3 1 2 4
51.00 5.96 1.7905 3 3 1 4
51.32 5.06 1.7802 3 5 0 4
51.57 4.70 1.7723 2 7 1 4
51.68 6.79 1.7687 -3 2 2 4
51.85 4.42 1.7635 1 0 3 2
52.06 1.65 1.7569 -3 5 1 4
52.22 1.19 1.7518 2 8 0 4
52.60 6.19 1.7398 0 4 3 4
52.81 2.16 1.7337 -1 9 1 4
52.90 1.86 1.7307 1 7 2 4
52.99 3.84 1.7280 -2 1 3 4
53.05 1.47 1.7262 1 2 3 4
53.13 1.82 1.7239 3 4 1 4
53.45 1.59 1.7144 2 5 2 4
53.97 3.69 1.6989 0 8 2 4
54.05 6.02 1.6966 1 9 1 4
54.53 1.53 1.6828 1 3 3 4
54.86 1.76 1.6734 -1 8 2 4
55.25 1.35 1.6626 -3 4 2 4
55.32 4.10 1.6607 -3 6 1 4
55.58 1.28 1.6536 -2 7 2 4
56.44 1.96 1.6302 1 10 0 4
56.86 2.50 1.6192 0 10 1 4
57.20 7.48 1.6105 2 9 0 4
57.28 2.78 1.6085 1 8 2 4
57.36 2.56 1.6064 -2 4 3 4
57.83 1.14 1.5944 -3 5 2 4
58.14 2.49 1.5866 3 1 2 4
58.35 3.68 1.5816 3 7 0 4
58.41 1.02 1.5800 0 6 3 4
58.47 2.72 1.5786 -2 9 1 4
58.76 5.44 1.5713 4 0 0 2
58.98 1.55 1.5659 3 2 2 4
59.48 1.05 1.5540 1 10 1 4
59.88 4.94 1.5446 -2 5 3 4
59.96 1.59 1.5428 -4 2 1 4
60.19 1.66 1.5375 2 1 3 4
62.12 2.01 1.4942 1 6 3 4
62.28 3.22 1.4908 3 4 2 4
62.28 1.48 1.4908 -3 2 3 4
62.28 2.57 1.4908 1 11 0 4
62.47 2.62 1.4867 3 8 0 4
63.11 2.51 1.4730 -3 8 1 4
63.22 2.97 1.4708 -4 4 1 4
63.62 2.31 1.4625 -3 3 3 4
63.67 4.11 1.4616 -4 0 2 2
63.93 1.39 1.4561 -4 1 2 4
64.38 1.18 1.4470 -3 7 2 4
64.42 5.16 1.4464 -2 9 2 4
64.48 3.88 1.4450 4 2 1 4
64.68 4.63 1.4411 3 5 2 4
64.83 1.80 1.4382 -1 10 2 4
65.13 1.58 1.4323 0 0 4 2
65.98 3.68 1.4159 0 8 3 4
66.18 1.29 1.4121 0 2 4 4
66.47 2.72 1.4067 0 12 0 2
66.61 4.30 1.4040 2 5 3 4
67.48 1.02 1.3880 0 3 4 4
68.30 1.92 1.3733 -3 8 2 4
68.38 6.39 1.3719 4 6 0 4
68.78 3.14 1.3649 2 9 2 4
69.14 2.00 1.3587 -2 11 1 4
69.43 1.47 1.3537 1 1 4 4
70.02 1.47 1.3437 -1 12 1 4
70.19 1.72 1.3408 1 2 4 4
70.26 4.15 1.3397 -1 11 2 4
70.58 2.66 1.3345 -2 3 4 4
70.59 1.65 1.3342 -1 9 3 4
70.63 3.35 1.3336 -3 6 3 4
71.26 2.65 1.3233 2 11 1 4
71.27 2.67 1.3232 -1 5 4 4
71.56 1.05 1.3185 0 5 4 4
71.82 1.35 1.3145 3 10 0 4
72.73 1.98 1.3002 2 7 3 4
73.21 1.69 1.2928 1 4 4 4
73.31 3.67 1.2913 3 3 3 4
73.70 1.60 1.2855 -4 2 3 4
74.31 3.03 1.2764 0 6 4 4
74.64 1.32 1.2716 -2 11 2 4
74.64 1.79 1.2716 1 13 0 4
75.11 3.15 1.2647 0 10 3 4
75.50 2.24 1.2592 -4 8 1 4
75.90 1.67 1.2536 5 1 0 4
76.24 2.93 1.2488 -3 2 4 4
76.66 1.55 1.2430 -4 4 3 4
77.27 1.22 1.2348 3 5 3 4
78.43 1.19 1.2194 1 10 3 4
78.75 2.14 1.2152 2 11 2 4
78.88 1.87 1.2135 2 3 4 4
79.18 1.26 1.2097 -3 4 4 4
79.28 1.98 1.2085 -5 1 2 4
79.49 1.21 1.2057 0 14 0 2
79.60 1.34 1.2043 4 8 1 4
80.33 1.05 1.1952 5 0 1 2
80.48 1.01 1.1934 -1 11 3 4
81.03 1.70 1.1867 -2 13 1 4
81.16 2.53 1.1851 4 6 2 4
81.17 1.22 1.1850 0 8 4 4
81.30 1.13 1.1834 5 2 1 4
81.32 1.18 1.1832 -5 5 1 4
82.51 1.23 1.1691 5 3 1 4
83.05 1.59 1.1628 2 13 1 4
83.20 1.48 1.1612 -3 12 1 4
83.41 1.71 1.1588 3 10 2 4
84.18 1.31 1.1501 -2 11 3 4
84.66 1.40 1.1448 -4 7 3 4
84.92 1.96 1.1420 1 8 4 4
85.07 1.12 1.1404 -5 5 2 4
85.53 1.25 1.1354 0 2 5 4
85.92 1.67 1.1313 4 2 3 4
85.95 1.89 1.1309 -1 3 5 4
86.21 1.42 1.1282 3 12 1 4
86.71 1.21 1.1230 -2 1 5 4
87.51 1.72 1.1147 5 7 0 4
87.66 1.21 1.1132 3 1 4 4
87.85 1.02 1.1113 0 14 2 4
88.16 1.43 1.1082 -2 9 4 4
88.25 1.37 1.1072 -4 8 3 4
88.26 1.52 1.1071 4 10 1 4
88.40 1.06 1.1058 0 4 5 4
88.80 1.19 1.1018 1 0 5 2
89.02 1.01 1.0997 1 12 3 4
89.12 1.37 1.0987 -5 3 3 4
89.34 1.00 1.0965 5 1 2 4
89.78 1.84 1.0923 -1 15 1 4
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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.