#------------------------------------------------------------------------------
#$Date: 2020-11-25 07:21:01 +0200 (Wed, 25 Nov 2020) $
#$Revision: 259243 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/36/2243682.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_2243682
_cell_angle_alpha                63.696
_cell_angle_beta                 84.656
_cell_angle_gamma                76.146
_cell_length_a                   6.5782
_cell_length_b                   9.5213
_cell_length_c                   10.4848
_exptl_crystal_F_000             424.00
_reflns_d_resolution_high        0.6614
_cod_data_source_file            wm5589TONi-2_223Ksup2.hkl
_cod_data_source_block           TONi-2_223K
_shelx_title                     ' [Tm(NO3)3(H2O)4]*H2O (223K) in P-1 (no.2)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            175.89
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
1 0 0 0.53 8.46 90.99 o
2 0 0 290.96 334.61 108.77 o
3 0 0 742.64 735.97 159.57 o
4 0 0 12014.50 11686.41 175.69 o
5 0 0 26.27 26.19 69.22 o
6 0 0 3481.18 3417.65 95.21 o
7 0 0 479.76 465.03 78.02 o
8 0 0 1631.83 1626.09 124.65 o
9 0 0 208.37 240.00 100.78 o
-9 1 0 264.13 329.35 99.54 o
-8 1 0 921.92 898.21 117.83 o
-7 1 0 915.30 888.71 79.51 o
-6 1 0 3570.48 3554.65 84.33 o
-5 1 0 3419.45 3502.29 106.82 o
-4 1 0 3085.10 3049.01 97.79 o
-3 1 0 8986.08 9096.43 210.26 o
-2 1 0 4465.07 4408.67 234.25 o
-1 1 0 9747.06 9314.88 496.61 o
1 1 0 11393.36 12854.37 507.75 o
2 1 0 2192.29 2283.35 246.16 o
3 1 0 13940.97 13759.21 1050.94 o
4 1 0 1260.41 1283.96 79.97 o
5 1 0 2876.72 2820.54 96.84 o
6 1 0 619.93 597.64 66.07 o
7 1 0 2656.87 2824.17 104.04 o
8 1 0 246.50 278.21 94.19 o
9 1 0 1042.27 1096.10 108.82 o
-9 2 0 1372.56 1434.98 115.39 o
-8 2 0 3.82 3.57 101.86 o
-7 2 0 1953.98 1910.76 93.51 o
-6 2 0 79.21 39.79 68.45 o
-5 2 0 4313.03 4244.11 95.62 o
-4 2 0 9.10 23.78 50.09 o
-3 2 0 12325.70 12283.67 234.07 o
-2 2 0 3648.21 3927.53 206.06 o
-1 2 0 6792.18 6768.73 285.38 o
0 2 0 7190.10 6792.34 294.19 o
1 2 0 18374.30 18658.53 914.47 o
2 2 0 4220.22 4443.50 309.47 o
3 2 0 10661.12 10148.33 398.56 o
4 2 0 3914.02 3865.49 110.30 o
5 2 0 3776.29 3962.93 112.40 o
6 2 0 1042.41 1010.20 87.59 o
7 2 0 2011.51 1890.58 120.96 o
8 2 0 528.94 492.02 92.45 o
9 2 0 762.19 749.86 122.19 o
-8 3 0 936.99 928.31 118.38 o
-7 3 0 204.36 199.17 85.31 o
-6 3 0 3007.24 2945.85 89.95 o
-5 3 0 1600.73 1542.99 65.80 o
-4 3 0 1966.53 1953.83 59.29 o
-3 3 0 892.20 870.49 62.56 o
-2 3 0 15963.27 16580.94 632.69 o
-1 3 0 7309.46 7265.17 224.25 o
0 3 0 11764.27 11634.35 368.78 o
1 3 0 77.99 78.27 135.83 o
2 3 0 6454.71 6531.76 337.63 o
3 3 0 4042.25 4327.66 271.16 o
4 3 0 11514.72 11041.66 261.78 o
5 3 0 12.13 15.80 67.24 o
6 3 0 4534.43 4561.72 183.31 o
7 3 0 14.24 59.52 87.04 o
8 3 0 1775.59 1826.75 104.01 o
9 3 0 62.90 109.33 120.80 o
-8 4 0 1201.78 1173.35 146.43 o
-7 4 0 60.27 46.78 88.53 o
-6 4 0 2824.60 2819.21 82.00 o
-5 4 0 945.92 949.74 62.20 o
-4 4 0 3090.73 3057.28 74.66 o
-3 4 0 1509.03 1542.61 71.76 o
-2 4 0 8051.89 8056.02 93.57 o
-1 4 0 2283.68 2314.55 129.74 o
0 4 0 10243.16 10228.91 251.66 o
1 4 0 10260.79 10094.39 341.77 o
2 4 0 14383.16 14520.33 442.19 o
3 4 0 2483.15 2398.80 219.28 o
4 4 0 348.13 347.55 81.52 o
5 4 0 3249.23 3180.94 106.36 o
6 4 0 2412.72 2343.99 99.19 o
7 4 0 1923.15 2058.15 119.15 o
8 4 0 315.91 319.22 93.94 o
9 4 0 969.20 984.74 124.82 o
-8 5 0 44.52 79.83 142.20 o
-7 5 0 1306.00 1453.33 118.48 o
-6 5 0 346.08 327.38 83.41 o
-5 5 0 4599.64 4534.81 100.18 o
-4 5 0 31.54 39.39 58.28 o
-3 5 0 5945.16 5876.73 106.86 o
-2 5 0 5.98 20.95 42.68 o
-1 5 0 7091.88 7202.60 92.13 o
0 5 0 78.02 82.02 52.41 o
1 5 0 10654.57 10612.99 181.73 o
2 5 0 3.41 10.26 81.52 o
3 5 0 5696.78 5845.97 153.36 o
4 5 0 1498.33 1517.27 82.79 o
5 5 0 3700.03 3698.81 98.71 o
6 5 0 9.53 33.24 81.80 o
7 5 0 2152.20 2085.77 112.57 o
8 5 0 296.71 293.53 98.27 o
9 5 0 929.13 864.20 130.01 o
-7 6 0 956.16 1013.59 100.58 o
-6 6 0 500.01 531.92 76.71 o
-5 6 0 922.88 896.45 80.95 o
-4 6 0 1896.60 1882.45 74.28 o
-3 6 0 2425.59 2417.31 65.66 o
-2 6 0 3697.35 3713.14 71.66 o
-1 6 0 1466.23 1527.03 61.63 o
0 6 0 4697.51 4776.24 83.04 o
1 6 0 2900.79 2999.78 98.09 o
2 6 0 3415.07 3541.37 101.75 o
3 6 0 1981.99 1991.62 100.96 o
4 6 0 2836.37 2783.14 94.35 o
5 6 0 441.83 435.83 68.82 o
6 6 0 3287.18 3231.60 93.91 o
7 6 0 232.31 202.24 92.22 o
8 6 0 1400.06 1402.90 104.40 o
9 6 0 46.18 54.50 116.52 o
-6 7 0 1383.32 1394.65 83.81 o
-5 7 0 59.77 67.35 69.10 o
-4 7 0 2093.85 2115.18 79.53 o
-3 7 0 9.07 32.27 52.08 o
-2 7 0 4700.97 4673.56 77.02 o
-1 7 0 516.94 516.41 50.43 o
0 7 0 5715.97 5690.03 87.98 o
1 7 0 300.87 339.53 65.73 o
2 7 0 3814.61 3778.77 96.43 o
3 7 0 930.87 908.27 65.32 o
4 7 0 3046.72 2964.51 110.20 o
5 7 0 933.97 999.52 75.88 o
6 7 0 2585.12 2668.50 97.89 o
7 7 0 1068.82 1169.99 140.87 o
8 7 0 665.81 705.72 114.15 o
9 7 0 442.40 487.52 146.43 o
-6 8 0 521.87 591.92 87.55 o
-5 8 0 1190.78 1187.05 90.03 o
-4 8 0 394.24 368.27 87.45 o
-3 8 0 1707.47 1663.73 71.54 o
-2 8 0 514.16 551.90 56.14 o
-1 8 0 5180.96 4958.68 98.26 o
0 8 0 737.09 666.89 56.44 o
1 8 0 3055.53 3088.33 78.65 o
2 8 0 140.63 149.73 59.94 o
3 8 0 5218.93 5119.43 97.43 o
4 8 0 43.73 53.16 73.53 o
5 8 0 1792.24 1761.79 87.23 o
6 8 0 67.66 47.86 92.23 o
7 8 0 2300.64 2153.30 212.11 o
8 8 0 0.31 20.10 117.01 o
-5 9 0 1550.06 1612.96 98.70 o
-4 9 0 341.54 316.66 98.01 o
-3 9 0 1656.40 1664.95 90.92 o
-2 9 0 1223.82 1250.12 72.72 o
-1 9 0 1604.61 1601.80 74.41 o
0 9 0 636.67 654.33 65.30 o
1 9 0 2040.07 1983.83 73.95 o
2 9 0 1780.34 1746.76 74.38 o
3 9 0 1007.70 984.92 63.89 o
4 9 0 1185.07 1170.25 92.75 o
5 9 0 833.03 908.66 87.56 o
6 9 0 1599.70 1520.86 107.91 o
7 9 0 379.79 378.98 119.19 o
8 9 0 482.57 633.10 125.66 o
-4 10 0 1125.17 1137.80 106.19 o
-3 10 0 20.56 12.98 69.57 o
-2 10 0 1754.25 1738.82 103.65 o
-1 10 0 14.19 26.14 69.65 o
0 10 0 2178.82 2199.13 78.25 o
1 10 0 2.70 -17.37 83.40 o
2 10 0 2165.53 2202.88 88.12 o
3 10 0 48.45 35.88 67.55 o
4 10 0 1644.53 1580.66 90.19 o
5 10 0 70.19 124.92 80.83 o
6 10 0 1525.93 1574.61 106.15 o
7 10 0 219.78 219.35 119.86 o
-3 11 0 469.58 459.19 82.98 o
-2 11 0 805.97 797.20 91.29 o
-1 11 0 784.72 874.01 87.94 o
0 11 0 541.76 531.01 82.11 o
1 11 0 1346.27 1375.05 99.61 o
2 11 0 661.30 652.59 87.11 o
3 11 0 1279.91 1251.93 84.08 o
4 11 0 95.21 129.57 92.97 o
5 11 0 1541.98 1501.71 103.73 o
6 11 0 215.83 207.61 115.37 o
-1 12 0 1440.33 1567.56 124.43 o
0 12 0 129.04 112.05 95.23 o
1 12 0 1211.87 1298.52 91.29 o
2 12 0 280.58 338.09 94.89 o
3 12 0 862.23 836.49 83.99 o
4 12 0 404.02 413.46 90.62 o
5 12 0 898.88 934.17 104.15 o
-4 -12 1 531.07 496.06 149.09 o
-3 -12 1 397.31 415.64 84.31 o
-2 -12 1 462.18 418.18 85.95 o
-1 -12 1 684.02 725.40 95.38 o
0 -12 1 979.05 971.84 105.11 o
-6 -11 1 767.58 856.77 121.18 o
-5 -11 1 5.97 2.50 100.23 o
-4 -11 1 2103.83 2194.99 158.97 o
-3 -11 1 54.96 33.51 79.57 o
-2 -11 1 1459.40 1592.86 90.26 o
-1 -11 1 164.79 194.65 88.49 o
0 -11 1 1522.90 1507.08 103.88 o
1 -11 1 212.64 273.13 83.81 o
2 -11 1 1143.20 1150.00 93.67 o
-7 -10 1 556.26 504.70 128.68 o
-6 -10 1 171.59 219.85 114.21 o
-5 -10 1 1899.13 1953.41 108.75 o
-4 -10 1 732.49 794.77 134.05 o
-3 -10 1 1252.70 1289.09 84.13 o
-2 -10 1 151.73 164.60 66.05 o
-1 -10 1 2307.66 2207.59 95.57 o
0 -10 1 85.87 73.35 79.04 o
1 -10 1 1595.65 1656.77 98.77 o
2 -10 1 152.03 132.31 82.50 o
3 -10 1 1675.01 1817.81 110.86 o
-7 -9 1 1344.18 1334.22 198.59 o
-6 -9 1 298.07 321.93 120.18 o
-5 -9 1 1355.46 1282.50 100.38 o
-4 -9 1 723.08 703.04 106.82 o
-3 -9 1 1958.94 1875.52 73.18 o
-2 -9 1 458.99 464.47 61.47 o
-1 -9 1 1999.53 1874.83 82.60 o
0 -9 1 1239.46 1257.24 73.00 o
1 -9 1 1633.67 1650.49 74.89 o
2 -9 1 643.37 636.07 73.59 o
3 -9 1 1142.19 1107.86 81.04 o
4 -9 1 850.70 931.28 82.93 o
5 -9 1 526.48 583.34 92.39 o
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-7 -8 1 164.07 199.28 188.65 o
-6 -8 1 1687.29 1651.48 117.91 o
-5 -8 1 54.88 82.80 67.86 o
-4 -8 1 3652.97 3462.97 123.66 o
-3 -8 1 264.81 271.70 65.09 o
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-1 -8 1 19.41 21.55 60.00 o
0 -8 1 5005.93 4893.55 99.70 o
1 -8 1 123.67 129.85 54.83 o
2 -8 1 3435.56 3525.66 79.03 o
3 -8 1 2.59 -1.55 56.76 o
4 -8 1 1802.25 1818.21 101.59 o
5 -8 1 57.58 49.37 84.03 o
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4 -6 1 347.19 367.31 70.36 o
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-8 -5 1 1229.57 1205.90 120.68 o
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1 -5 1 1773.26 1870.84 61.68 o
2 -5 1 4372.91 4514.16 90.68 o
3 -5 1 437.39 422.40 50.37 o
4 -5 1 4081.77 4029.09 81.80 o
5 -5 1 14.21 51.09 58.99 o
6 -5 1 1956.01 1923.02 88.78 o
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-8 -4 1 1465.43 1580.06 119.80 o
-7 -4 1 296.22 305.30 81.94 o
-6 -4 1 3366.79 3313.83 87.59 o
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-3 -4 1 1716.37 1783.88 120.27 o
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0 -4 1 4055.76 3942.63 202.67 o
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3 -4 1 3242.04 3178.37 79.15 o
4 -4 1 2018.52 1960.74 64.66 o
5 -4 1 1219.24 1241.54 69.76 o
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-9 -3 1 1188.59 1266.34 167.70 o
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3 -3 1 3642.50 3594.41 82.83 o
4 -3 1 118.15 93.24 51.81 o
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8 -3 1 121.74 91.03 94.20 o
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