#------------------------------------------------------------------------------
#$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $
#$Revision: 691 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2220185.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2220185_Fobs
loop_
_publ_author_name
'Li, Ya-Feng'
'Jin, Li'
'Li, Dan-Ping'
'Zhang, Long'
_publ_section_title
;
 NdO(NO~3~)
;
_journal_coeditor_code           HB2833
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i81
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.5233
_cell_length_b                   5.1618
_cell_length_c                   8.7157
_exptl_crystal_F_000             396.00
_reflns_d_resolution_high        0.7823
_[local]_cod_data_source_file    hb2833Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' yf-4a in Pnma'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            213.29
_shelx_F_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
2 0 0 7918.58 7549.52 150.86 o
4 0 0 23732.77 22881.96 645.67 o
6 0 0 15517.18 16535.80 478.43 o
8 0 0 2222.07 2275.20 80.90 o
2 1 0 37342.50 29698.48 520.27 o
4 1 0 10212.45 10627.92 194.58 o
6 1 0 12048.14 12886.27 239.36 o
8 1 0 9477.52 9204.65 180.80 o
0 2 0 45491.59 36567.10 1011.73 o
2 2 0 2286.58 2121.36 57.58 o
4 2 0 8786.65 8938.79 164.48 o
6 2 0 6975.02 7018.49 123.87 o
8 2 0 1322.88 1331.01 40.03 o
2 3 0 17150.47 17544.56 506.21 o
4 3 0 5221.26 5143.48 221.02 o
6 3 0 7619.61 7452.66 160.95 o
8 3 0 6209.38 7149.93 965.83 o
0 4 0 35888.73 35201.63 809.69 o
2 4 0 2223.15 2493.11 70.81 o
4 4 0 11230.77 11610.58 351.39 o
6 4 0 8247.19 8235.27 272.31 o
2 5 0 14966.57 15603.63 326.07 o
4 5 0 4542.84 4432.72 120.42 o
6 5 0 6303.93 5770.85 166.33 o
2 6 0 803.11 956.70 36.17 o
1 0 1 5748.63 5629.68 112.52 o
2 0 1 17751.11 16326.01 320.78 o
3 0 1 20160.11 20360.30 359.39 o
4 0 1 5237.18 5723.53 97.47 o
5 0 1 20.66 48.00 6.94 o
6 0 1 5794.60 6016.04 116.09 o
7 0 1 4733.10 4666.62 93.65 o
8 0 1 4449.34 4871.74 186.13 o
9 0 1 516.49 488.41 22.23 o
0 1 1 22559.11 20381.84 323.80 o
1 1 1 8836.58 8663.53 155.00 o
2 1 1 9.53 36.96 3.98 o
3 1 1 2196.97 2537.43 35.34 o
4 1 1 15358.95 15782.18 183.30 o
5 1 1 4850.85 4932.48 64.49 o
6 1 1 6528.22 6710.45 91.32 o
7 1 1 354.68 375.45 10.79 o
8 1 1 2593.62 2609.91 48.21 o
9 1 1 2445.76 2369.61 46.69 o
1 2 1 695.14 530.77 9.58 o
2 2 1 28085.16 26737.33 362.14 o
3 2 1 5297.23 5306.98 71.80 o
4 2 1 7551.54 8015.96 111.81 o
5 2 1 21.69 42.86 5.18 o
6 2 1 7383.63 7737.05 110.93 o
7 2 1 1737.06 1854.34 31.86 o
8 2 1 6576.28 6557.74 94.44 o
9 2 1 117.20 153.77 13.75 o
0 3 1 18712.01 19529.61 346.58 o
1 3 1 3149.55 3035.80 39.48 o
2 3 1 165.09 210.75 11.41 o
3 3 1 986.78 977.78 21.23 o
4 3 1 12519.47 13012.85 234.12 o
5 3 1 2508.89 2520.16 36.90 o
6 3 1 6010.75 5995.76 78.48 o
7 3 1 187.63 203.49 8.96 o
8 3 1 2254.72 2269.65 64.16 o
1 4 1 1813.24 1951.02 31.47 o
2 4 1 10001.19 10552.32 182.22 o
3 4 1 6532.38 6468.94 116.04 o
4 4 1 2948.76 2928.45 58.79 o
5 4 1 16.52 32.42 7.73 o
6 4 1 3778.22 3825.80 100.98 o
7 4 1 2716.38 2640.18 72.44 o
0 5 1 7442.88 7490.18 119.94 o
1 5 1 3182.07 3286.22 49.79 o
2 5 1 95.15 138.58 9.85 o
3 5 1 775.83 789.24 23.04 o
4 5 1 5678.54 5868.39 110.99 o
5 5 1 2981.37 3090.80 71.85 o
6 5 1 2848.92 2792.90 68.87 o
1 6 1 576.00 681.87 46.68 o
2 6 1 7447.23 7633.74 139.40 o
3 6 1 2188.78 2135.09 53.26 o
0 0 2 17535.59 14529.70 412.53 o
1 0 2 11357.32 11860.92 238.54 o
2 0 2 3252.82 3677.47 80.17 o
3 0 2 2976.06 2946.99 70.88 o
4 0 2 4163.80 4323.70 83.83 o
5 0 2 7359.25 7236.10 125.65 o
6 0 2 2450.82 2426.32 53.96 o
7 0 2 259.69 302.33 22.83 o
8 0 2 418.73 438.38 21.84 o
9 0 2 5337.39 5525.53 206.88 o
1 1 2 4573.39 4228.70 67.02 o
2 1 2 9029.50 9040.47 122.93 o
3 1 2 17065.75 17607.27 250.39 o
4 1 2 1289.07 1163.00 21.89 o
5 1 2 1096.32 1045.01 19.09 o
6 1 2 2206.28 2129.87 32.61 o
7 1 2 11309.71 11295.59 152.98 o
8 1 2 2939.66 2753.27 50.26 o
9 1 2 1112.06 1101.42 30.12 o
0 2 2 14090.85 14456.82 236.02 o
1 2 2 25045.76 25223.01 300.94 o
2 2 2 2342.59 2356.06 33.61 o
3 2 2 4531.14 4601.03 59.25 o
4 2 2 4131.66 4070.31 57.33 o
5 2 2 15704.54 15832.12 197.01 o
6 2 2 2488.69 2494.12 41.40 o
7 2 2 617.79 617.89 15.95 o
8 2 2 417.57 416.83 13.76 o
9 2 2 7876.92 7914.08 258.25 o
1 3 2 5210.34 5580.26 79.04 o
2 3 2 6006.42 6130.56 77.79 o
3 3 2 15635.33 16207.21 197.14 o
4 3 2 1044.49 1018.99 17.18 o
5 3 2 687.39 693.80 14.91 o
6 3 2 1765.80 1734.51 31.31 o
7 3 2 10838.00 10769.31 147.95 o
8 3 2 2464.48 2297.92 52.73 o
0 4 2 6151.78 6425.68 122.12 o
1 4 2 6743.41 7019.06 88.84 o
2 4 2 932.21 923.33 16.92 o
3 4 2 1599.19 1572.32 31.39 o
4 4 2 2409.08 2398.15 43.54 o
5 4 2 5738.43 5922.15 124.07 o
6 4 2 1534.12 1551.54 39.15 o
7 4 2 185.71 184.49 19.37 o
1 5 2 1841.50 1988.93 30.73 o
2 5 2 3085.76 3101.84 62.78 o
3 5 2 5651.34 5606.35 106.24 o
4 5 2 599.77 634.04 21.13 o
5 5 2 371.42 353.53 22.33 o
0 6 2 3450.22 3576.26 191.29 o
1 6 2 5687.39 5549.64 131.65 o
2 6 2 470.83 494.05 19.02 o
3 6 2 1219.39 1189.04 31.62 o
1 0 3 18848.13 18905.19 381.47 o
2 0 3 2284.70 2981.88 67.00 o
3 0 3 42274.28 37500.65 748.95 o
4 0 3 87.83 105.54 8.98 o
5 0 3 1.77 36.33 9.30 o
6 0 3 1.21 29.19 7.14 o
7 0 3 13336.83 13293.07 254.00 o
8 0 3 301.30 311.73 18.31 o
9 0 3 1594.00 1524.13 48.79 o
0 1 3 702.73 884.97 22.67 o
1 1 3 23374.17 20589.90 304.46 o
2 1 3 55.61 101.49 5.40 o
3 1 3 5043.13 5574.85 85.03 o
4 1 3 337.01 372.85 10.98 o
5 1 3 20533.24 20673.71 299.67 o
6 1 3 2.83 15.59 6.21 o
7 1 3 630.21 653.28 17.40 o
8 1 3 34.95 60.82 9.20 o
9 1 3 7729.21 7253.33 119.12 o
1 2 3 9019.16 8956.82 106.93 o
2 2 3 142.57 162.53 7.37 o
3 2 3 22511.95 21998.01 282.12 o
4 2 3 237.36 245.57 11.03 o
5 2 3 1.94 29.77 7.38 o
6 2 3 307.45 320.40 11.08 o
7 2 3 8606.97 8490.46 130.44 o
8 2 3 21.94 28.66 10.52 o
0 3 3 970.02 1036.52 25.74 o
1 3 3 12691.89 12868.30 166.39 o
2 3 3 0.22 18.36 4.59 o
3 3 3 3005.23 3041.49 42.19 o
4 3 3 14.87 33.87 5.69 o
5 3 3 13698.79 13788.87 195.94 o
6 3 3 35.12 51.34 7.27 o
7 3 3 416.49 453.48 14.50 o
8 3 3 8.38 16.01 14.79 o
1 4 3 7398.64 7443.99 100.79 o
2 4 3 375.80 379.28 10.14 o
3 4 3 18176.81 18319.96 238.37 o
4 4 3 14.71 30.10 3.86 o
5 4 3 5.91 42.69 12.43 o
6 4 3 3.34 27.89 13.20 o
7 4 3 8416.39 8166.83 173.88 o
0 5 3 0.32 43.45 12.53 o
1 5 3 9250.63 9057.43 116.58 o
2 5 3 31.15 43.36 9.53 o
3 5 3 2057.25 2050.51 42.02 o
4 5 3 225.51 227.32 16.90 o
5 5 3 10782.08 10845.82 219.71 o
1 6 3 3388.16 3382.60 87.01 o
2 6 3 0.09 37.00 11.81 o
0 0 4 19738.02 20064.56 577.56 o
1 0 4 18167.09 18239.03 372.15 o
2 0 4 313.82 346.80 16.99 o
3 0 4 1943.74 1859.23 46.93 o
4 0 4 5767.26 5987.00 123.67 o
5 0 4 15695.04 15901.12 295.99 o
6 0 4 3565.41 3288.37 70.57 o
7 0 4 97.90 106.23 13.16 o
8 0 4 687.84 656.63 24.47 o
1 1 4 8832.97 9137.95 143.73 o
2 1 4 6299.29 6588.54 95.26 o
3 1 4 10813.45 11276.10 159.63 o
4 1 4 2508.04 2643.03 42.47 o
5 1 4 750.32 755.07 18.89 o
6 1 4 2171.66 2194.56 46.85 o
7 1 4 11706.31 11289.21 148.34 o
8 1 4 1460.82 1484.29 28.31 o
0 2 4 3553.69 3333.27 69.60 o
1 2 4 11647.47 12193.18 160.58 o
2 2 4 2.16 28.62 5.85 o
3 2 4 1398.87 1378.50 28.61 o
4 2 4 1211.34 1209.18 23.80 o
5 2 4 11515.24 11690.74 177.10 o
6 2 4 874.77 872.51 21.00 o
7 2 4 52.61 92.42 13.71 o
8 2 4 301.16 324.17 13.57 o
1 3 4 5571.13 5464.77 73.09 o
2 3 4 2578.61 2534.51 41.78 o
3 3 4 7786.46 7890.88 113.51 o
4 3 4 1142.03 1169.40 23.20 o
5 3 4 513.85 550.37 15.44 o
6 3 4 1214.71 1206.65 24.74 o
7 3 4 8913.46 8614.59 130.66 o
0 4 4 6609.86 6196.86 121.93 o
1 4 4 8420.40 8262.49 118.09 o
2 4 4 156.09 179.57 7.72 o
3 4 4 1154.76 1169.32 19.16 o
4 4 4 2740.02 2687.35 42.24 o
5 4 4 9211.96 9029.58 154.20 o
6 4 4 1897.08 1789.57 48.40 o
1 5 4 3643.47 3531.73 58.39 o
2 5 4 3514.86 3491.55 68.77 o
3 5 4 5808.02 5887.65 97.16 o
4 5 4 1333.07 1227.07 33.89 o
5 5 4 298.25 364.59 20.36 o
0 6 4 1914.85 1713.08 100.88 o
1 6 4 4337.70 4268.75 108.28 o
1 0 5 3386.03 3261.91 86.88 o
2 0 5 12400.86 12095.40 256.09 o
3 0 5 3186.90 3227.45 78.52 o
4 0 5 2568.03 2535.92 66.89 o
5 0 5 136.68 131.02 9.69 o
6 0 5 4503.46 4440.43 93.02 o
7 0 5 1193.93 1262.40 41.14 o
8 0 5 4569.38 4546.99 102.77 o
0 1 5 15855.71 15172.15 315.92 o
1 1 5 2936.15 2549.83 43.52 o
2 1 5 744.37 769.27 19.09 o
3 1 5 603.13 634.82 17.31 o
4 1 5 9787.25 9899.51 161.75 o
5 1 5 5760.75 5733.03 92.31 o
6 1 5 4742.97 4894.58 81.49 o
7 1 5 13.83 33.33 9.32 o
8 1 5 1707.95 1611.03 33.05 o
1 2 5 6203.77 6043.48 85.37 o
2 2 5 15504.43 15305.34 258.53 o
3 2 5 8149.93 8138.25 111.56 o
4 2 5 3400.72 3393.49 58.69 o
5 2 5 103.02 96.75 10.89 o
6 2 5 5151.66 5099.16 84.49 o
7 2 5 3136.21 3054.30 59.34 o
8 2 5 5640.51 5373.14 78.71 o
0 3 5 13127.96 13053.94 247.02 o
1 3 5 3417.98 3288.74 50.49 o
2 3 5 690.58 668.83 16.21 o
3 3 5 640.40 649.87 17.62 o
4 3 5 8296.82 8265.65 121.41 o
5 3 5 5795.82 5598.62 93.53 o
6 3 5 4274.06 4307.70 71.47 o
7 3 5 37.17 50.39 11.26 o
1 4 5 1861.85 1784.31 30.15 o
2 4 5 7668.49 7439.54 115.05 o
3 4 5 2369.38 2511.77 43.16 o
4 4 5 1722.45 1709.81 30.91 o
5 4 5 48.46 61.69 15.74 o
6 4 5 3024.91 3015.03 68.48 o
0 5 5 6497.55 6274.20 160.31 o
1 5 5 1033.76 1057.22 23.02 o
2 5 5 341.70 345.00 13.42 o
3 5 5 230.87 261.79 16.85 o
4 5 5 4420.52 4502.57 92.55 o
0 0 6 20709.21 21291.56 680.11 o
1 0 6 900.75 1064.84 41.03 o
2 0 6 2978.71 2958.65 84.62 o
3 0 6 0.84 6.26 14.05 o
4 0 6 11286.30 11441.67 248.57 o
5 0 6 581.19 630.94 19.78 o
6 0 6 5928.67 5821.26 121.45 o
7 0 6 0.13 8.76 17.59 o
8 0 6 1563.15 1621.44 46.68 o
1 1 6 88.19 109.10 12.25 o
2 1 6 19786.13 19728.80 275.50 o
3 1 6 41.16 59.95 10.88 o
4 1 6 3787.94 3789.77 58.26 o
5 1 6 65.26 88.08 10.52 o
6 1 6 4717.26 4582.62 78.12 o
7 1 6 178.47 178.32 12.52 o
0 2 6 22119.04 21080.55 396.29 o
1 2 6 56.39 82.51 9.12 o
2 2 6 2911.60 2777.56 44.74 o
3 2 6 137.72 166.41 9.97 o
4 2 6 12017.99 11519.42 178.66 o
5 2 6 58.37 58.46 9.07 o
6 2 6 6600.69 6338.75 105.39 o
7 2 6 50.41 61.52 11.43 o
1 3 6 0.07 30.59 9.77 o
2 3 6 15843.89 15286.41 205.21 o
3 3 6 229.63 298.71 17.41 o
4 3 6 3268.65 3309.94 59.03 o
5 3 6 44.36 63.86 10.05 o
6 3 6 4091.74 4021.83 72.51 o
0 4 6 12336.93 12102.80 234.77 o
1 4 6 247.92 241.08 11.81 o
2 4 6 1556.86 1520.24 31.05 o
3 4 6 1.26 19.84 8.76 o
4 4 6 7263.20 7084.05 109.15 o
5 4 6 221.74 228.99 19.60 o
1 5 6 100.95 116.77 10.95 o
2 5 6 8825.25 8319.89 193.59 o
3 5 6 20.37 46.00 14.09 o
1 0 7 1793.67 1849.11 54.55 o
2 0 7 17934.57 17438.66 393.72 o
3 0 7 2813.22 2936.26 78.63 o
4 0 7 3221.56 3003.46 77.76 o
5 0 7 117.64 122.25 10.85 o
6 0 7 4231.59 4208.06 107.07 o
7 0 7 2740.25 2607.01 95.28 o
0 1 7 9400.85 9350.56 268.79 o
1 1 7 3006.58 3030.03 57.10 o
2 1 7 822.00 822.79 22.10 o
3 1 7 260.47 289.04 15.23 o
4 1 7 10234.82 10312.37 144.32 o
5 1 7 2647.44 2766.82 49.68 o
6 1 7 4208.17 4148.13 74.27 o
7 1 7 36.47 71.45 14.27 o
1 2 7 980.30 926.99 22.30 o
2 2 7 8428.71 8278.08 117.07 o
3 2 7 1478.04 1440.17 27.92 o
4 2 7 1299.67 1248.51 25.27 o
5 2 7 98.63 108.77 11.06 o
6 2 7 2257.98 2420.21 49.72 o
0 3 7 5767.51 5637.20 118.76 o
1 3 7 1941.47 1915.39 34.27 o
2 3 7 486.48 485.73 15.68 o
3 3 7 182.33 219.31 11.04 o
4 3 7 6682.36 6740.25 113.42 o
5 3 7 1831.44 1942.02 39.04 o
6 3 7 2706.28 2741.18 55.22 o
1 4 7 1004.04 937.09 21.71 o
2 4 7 9921.33 9289.20 139.29 o
3 4 7 1697.91 1701.97 37.69 o
4 4 7 1919.98 1834.09 36.61 o
0 5 7 6284.11 5834.33 139.17 o
1 5 7 1605.73 1503.23 36.37 o
0 0 8 3810.49 3836.10 167.29 o
1 0 8 6553.72 6597.81 156.01 o
2 0 8 726.90 758.82 32.95 o
3 0 8 1371.62 1259.88 43.64 o
4 0 8 1416.83 1453.56 50.25 o
5 0 8 9795.79 9556.29 241.89 o
6 0 8 942.75 972.11 40.83 o
1 1 8 4902.11 4900.53 85.79 o
2 1 8 3757.02 3839.47 65.93 o
3 1 8 7167.08 7142.45 111.51 o
4 1 8 729.67 762.98 21.52 o
5 1 8 35.98 60.87 13.42 o
6 1 8 1157.35 1115.66 31.19 o
0 2 8 7679.37 7524.67 182.42 o
1 2 8 4064.71 4111.60 65.28 o
2 2 8 1133.56 1155.58 27.20 o
3 2 8 945.95 940.82 23.46 o
4 2 8 3162.76 3047.08 55.17 o
5 2 8 6624.91 6588.98 111.57 o
6 2 8 2186.70 2136.57 54.55 o
1 3 8 3439.81 3267.30 54.48 o
2 3 8 4023.39 3864.77 70.83 o
3 3 8 5122.65 5107.38 84.01 o
4 3 8 862.28 874.24 25.03 o
5 3 8 31.82 53.20 12.06 o
0 4 8 2742.15 2784.99 68.23 o
1 4 8 4042.14 3791.17 62.77 o
2 4 8 459.31 460.26 19.95 o
3 4 8 868.00 840.41 26.38 o
1 0 9 4297.58 4555.65 117.87 o
2 0 9 88.77 162.65 35.80 o
3 0 9 6720.24 6915.99 167.60 o
4 0 9 101.18 100.79 21.97 o
5 0 9 35.07 68.03 24.62 o
0 1 9 0.45 11.35 17.05 o
1 1 9 7749.92 7781.11 128.18 o
2 1 9 105.59 112.89 14.06 o
3 1 9 1026.31 1131.91 27.20 o
4 1 9 56.37 80.27 13.99 o
5 1 9 9419.64 9616.98 151.26 o
1 2 9 6167.24 6133.53 95.30 o
2 2 9 5.95 48.33 12.25 o
3 2 9 10640.33 10136.05 152.89 o
4 2 9 35.27 49.43 14.32 o
0 3 9 3.77 19.01 18.50 o
1 3 9 7493.43 7235.71 109.70 o
2 3 9 87.01 93.85 13.67 o
3 3 9 1016.19 1077.58 30.73 o
0 0 10 474.65 789.00 76.76 o
1 0 10 6204.34 6264.96 166.51 o
2 0 10 65.41 101.67 26.29 o
3 0 10 1303.74 1299.07 51.93 o
4 0 10 1284.74 1298.33 45.14 o
1 1 10 2941.31 3101.77 55.02 o
2 1 10 1999.54 2177.89 44.44 o
3 1 10 5825.59 5928.13 93.06 o
0 2 10 1293.46 1297.56 48.40 o
1 2 10 3299.35 3421.41 61.48 o
2 2 10 151.52 175.32 16.20 o
3 2 10 785.40 802.88 25.64 o
1 0 11 807.24 852.95 44.52 o
0 1 11 6064.39 5884.51 143.84 o