#------------------------------------------------------------------------------
#$Date: 2024-02-17 05:12:43 +0200 (Sat, 17 Feb 2024) $
#$Revision: 289862 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/07/2300738.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_2300738
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.1600
_cell_length_b                   12.0374
_cell_length_c                   4.1825
_exptl_crystal_F_000             364.00
_reflns_d_resolution_high        0.6693
_cod_data_source_file            nb5371NdGaH1.1sup4.hkl
_cod_data_source_block           NdGaH1.1
_shelx_title                     ' NdGaH1p1_0m_a.res in Cmcm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            272.19
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, y+1/2, 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
2 0 0 71766.71 71993.64 798.11 o
4 0 0 28734.79 29361.16 639.07 o
6 0 0 10821.88 10870.42 275.80 o
1 1 0 273.59 274.89 9.10 o
3 1 0 314.10 354.62 13.59 o
5 1 0 456.75 428.63 24.03 o
0 2 0 46.78 13.63 7.20 o
2 2 0 4.12 5.21 5.53 o
4 2 0 32.51 50.22 12.03 o
6 2 0 100.01 107.55 22.28 o
1 3 0 58229.29 58064.88 594.60 o
3 3 0 28128.34 28105.69 309.08 o
5 3 0 11878.73 11832.38 268.48 o
0 4 0 17348.94 16669.98 245.27 o
2 4 0 11632.02 11223.79 123.99 o
4 4 0 5825.57 5541.97 100.51 o
1 5 0 2119.43 2095.52 34.24 o
3 5 0 1070.95 1075.66 34.70 o
5 5 0 425.47 392.95 27.67 o
0 6 0 11480.21 11049.19 153.30 o
2 6 0 8598.36 8312.63 101.16 o
4 6 0 5165.22 5033.70 149.76 o
1 7 0 38517.37 37517.72 364.85 o
3 7 0 21718.70 21137.18 556.15 o
5 7 0 9537.40 9432.68 181.39 o
0 8 0 3816.04 3805.87 77.75 o
2 8 0 2551.28 2448.06 52.95 o
4 8 0 898.38 905.92 46.97 o
1 9 0 1452.77 1422.16 38.59 o
3 9 0 1392.53 1535.79 56.70 o
5 9 0 1154.24 1147.51 127.26 o
0 10 0 31706.01 32140.84 612.01 o
2 10 0 24582.02 24107.48 330.23 o
4 10 0 13090.94 12807.98 234.90 o
1 11 0 20.40 36.87 18.77 o
3 11 0 0.18 16.47 36.30 o
0 12 0 2183.77 2504.45 150.14 o
2 12 0 1917.10 2000.08 65.07 o
4 12 0 1344.05 1421.30 83.14 o
1 13 0 9980.40 9962.83 200.27 o
3 13 0 7142.51 6836.97 148.62 o
0 14 0 3390.37 3456.71 191.62 o
2 14 0 2810.35 2695.41 139.90 o
1 15 0 3368.00 3336.43 138.59 o
3 15 0 2311.97 2581.30 216.80 o
0 16 0 2306.73 2131.09 244.67 o
2 16 0 2114.94 1871.45 294.44 o
1 17 0 5774.71 5853.41 328.92 o
1 1 1 39801.85 39321.43 259.05 o
3 1 1 19342.21 19089.89 158.18 o
5 1 1 8251.81 8479.65 114.22 o
0 2 1 14754.57 15118.02 146.30 o
2 2 1 10079.65 10339.97 73.61 o
4 2 1 5691.62 5741.55 70.47 o
6 2 1 3109.06 2651.13 77.45 o
1 3 1 15848.62 16718.98 115.78 o
3 3 1 7353.25 7491.52 67.10 o
5 3 1 2536.48 2534.80 55.49 o
0 4 1 50246.73 50316.05 497.50 o
2 4 1 33469.99 32993.89 218.55 o
4 4 1 14457.99 14438.07 166.73 o
1 5 1 6789.83 7070.17 59.20 o
3 5 1 4778.68 4708.73 55.79 o
5 5 1 3232.62 3186.07 56.79 o
0 6 1 20499.00 20046.88 240.59 o
2 6 1 14356.89 14376.26 121.85 o
4 6 1 6426.67 6444.15 89.69 o
1 7 1 14101.14 14155.17 114.76 o
3 7 1 8024.93 8064.61 94.80 o
5 7 1 3493.22 3407.46 63.16 o
0 8 1 15091.68 14368.83 260.40 o
2 8 1 12007.52 11917.55 112.73 o
4 8 1 7172.64 7138.99 105.98 o
1 9 1 5667.34 5610.92 64.80 o
3 9 1 3834.75 3790.40 66.37 o
5 9 1 2079.78 2114.60 70.43 o
0 10 1 111.62 171.99 32.17 o
2 10 1 120.80 133.83 15.70 o
4 10 1 127.29 143.30 25.80 o
1 11 1 20840.65 20847.28 204.77 o
3 11 1 13673.57 13588.04 176.35 o
0 12 1 1370.49 1359.43 71.48 o
2 12 1 1322.00 1393.88 45.90 o
4 12 1 1124.14 1285.89 71.22 o
1 13 1 1307.76 1483.96 62.00 o
3 13 1 715.57 742.60 59.78 o
0 14 1 13622.25 14278.68 303.27 o
2 14 1 11170.49 11038.99 193.56 o
1 15 1 2044.95 2081.26 77.97 o
3 15 1 1719.56 1794.93 101.52 o
0 16 1 817.07 687.50 84.79 o
2 16 1 663.83 603.72 153.45 o
1 17 1 3111.76 2869.57 315.82 o
0 0 2 74086.18 75485.59 964.82 o
2 0 2 51200.71 51520.34 520.79 o
4 0 2 23518.41 23288.19 309.11 o
1 1 2 193.29 223.69 7.73 o
3 1 2 293.74 333.36 17.74 o
5 1 2 415.08 385.71 50.83 o
0 2 2 20.57 5.86 6.62 o
2 2 2 1.42 12.23 5.27 o
4 2 2 37.00 57.85 13.97 o
1 3 2 39150.99 39528.82 279.88 o
3 3 2 22216.12 22508.27 219.60 o
5 3 2 10137.23 10135.96 164.45 o
0 4 2 11609.91 11526.75 120.89 o
2 4 2 8754.88 8730.08 79.74 o
4 4 2 4902.34 5000.73 79.81 o
1 5 2 1509.38 1493.46 24.09 o
3 5 2 850.16 886.94 27.89 o
5 5 2 362.38 353.33 41.47 o
0 6 2 8366.40 8259.08 107.71 o
2 6 2 6845.40 6750.94 77.65 o
4 6 2 4430.82 4544.17 86.91 o
1 7 2 29043.42 29065.10 248.37 o
3 7 2 17669.77 17935.77 181.62 o
5 7 2 8206.80 8074.56 155.88 o
0 8 2 2802.95 2720.01 72.41 o
2 8 2 1934.58 1957.35 45.06 o
4 8 2 728.21 702.51 58.96 o
1 9 2 1273.53 1234.87 38.67 o
3 9 2 1242.64 1208.96 49.78 o
5 9 2 1028.73 3603.10 291.28 o
0 10 2 25274.32 25010.87 384.31 o
2 10 2 20104.31 19980.85 272.58 o
4 10 2 11177.93 11409.93 189.65 o
1 11 2 10.34 12.65 23.08 o
3 11 2 0.50 26.18 50.92 o
0 12 2 1865.96 1805.94 86.09 o
2 12 2 1654.04 1585.66 61.31 o
4 12 2 1180.95 1058.91 96.65 o
1 13 2 8446.81 8466.80 138.42 o
3 13 2 6167.02 6250.23 297.11 o
0 14 2 2865.49 2829.67 112.38 o
2 14 2 2401.99 2481.86 94.16 o
1 15 2 2864.10 2906.71 103.90 o
0 16 2 2035.69 2044.97 189.73 o
2 16 2 1872.83 2648.11 267.60 o
1 1 3 20048.21 20143.11 158.39 o
3 1 3 12478.30 12587.86 130.30 o
5 1 3 6075.01 6091.70 135.91 o
0 2 3 7339.68 7509.09 97.39 o
2 2 3 6184.95 6263.46 69.08 o
4 2 3 4195.76 4326.07 73.36 o
1 3 3 8195.34 8501.25 77.65 o
3 3 3 4571.20 4827.59 62.86 o
5 3 3 1820.22 1740.03 100.13 o
0 4 3 26092.95 26423.70 281.47 o
2 4 3 19775.68 19840.83 183.75 o
4 4 3 10009.29 10310.74 129.13 o
1 5 3 4223.35 4242.68 54.18 o
3 5 3 3543.48 3584.14 56.14 o
5 5 3 2511.50 2504.70 118.34 o
0 6 3 11543.08 11698.03 166.17 o
2 6 3 8835.67 8913.39 106.24 o
4 6 3 4499.37 4681.64 85.36 o
1 7 3 8541.79 8574.59 98.86 o
3 7 3 5434.60 5566.55 102.22 o
0 8 3 9802.01 9679.43 164.79 o
2 8 3 8286.63 8234.05 118.72 o
4 8 3 5340.61 5622.70 129.34 o
1 9 3 3832.21 3837.96 77.34 o
3 9 3 2772.84 2828.82 88.15 o
0 10 3 96.59 77.99 33.74 o
2 10 3 102.22 127.26 33.84 o
4 10 3 103.07 34.05 72.38 o
1 11 3 14305.22 14196.04 194.54 o
3 11 3 9909.02 10275.68 224.50 o
0 12 3 1090.01 1064.71 71.02 o
2 12 3 1048.66 1042.04 60.51 o
1 13 3 865.63 808.51 60.07 o
3 13 3 503.40 1490.18 177.61 o
0 14 3 9802.25 9794.73 223.42 o
2 14 3 8214.56 8208.55 306.78 o
1 15 3 1594.99 1558.82 166.32 o
0 0 4 32139.99 31823.02 512.85 o
2 0 4 25506.94 25240.43 426.02 o
4 0 4 14101.63 13915.12 336.42 o
1 1 4 171.89 206.12 17.57 o
3 1 4 259.70 291.19 40.00 o
0 2 4 0.27 17.57 18.42 o
2 2 4 4.76 34.93 21.20 o
4 2 4 40.28 73.82 38.17 o
1 3 4 18768.87 18738.31 176.45 o
3 3 4 12673.11 12734.36 175.06 o
0 4 4 5767.02 5823.01 100.41 o
2 4 4 4867.74 4812.16 78.59 o
4 4 4 3116.80 3218.19 119.31 o
1 5 4 741.04 765.85 31.46 o
3 5 4 481.94 579.18 42.16 o
0 6 4 4711.17 4754.00 85.67 o
2 6 4 4153.06 4134.58 89.01 o
4 6 4 2929.64 2946.98 115.41 o
1 7 4 15435.91 15371.21 178.20 o
3 7 4 10481.76 10436.90 168.73 o
0 8 4 1317.64 1437.85 60.78 o
2 8 4 972.31 1070.35 62.80 o
1 9 4 931.35 940.21 54.80 o
3 9 4 891.44 869.05 129.13 o
0 10 4 14484.55 14585.69 265.56 o
2 10 4 12035.23 12082.95 228.70 o
1 11 4 1.11 9.66 40.41 o
0 12 4 1227.18 1348.78 201.65 o
2 12 4 1106.75 1246.89 128.84 o
1 13 4 5427.38 5876.83 501.07 o
1 1 5 9038.79 8883.25 152.20 o
3 1 5 6432.78 6166.07 170.39 o
0 2 5 3744.36 3597.56 89.17 o
2 2 5 3367.05 3280.25 99.20 o
1 3 5 3428.60 3365.01 78.51 o
3 3 5 2211.84 2197.28 109.30 o
0 4 5 11409.82 11324.22 183.31 o
2 4 5 9346.64 9002.05 141.74 o
1 5 5 2461.61 2414.12 71.73 o
3 5 5 2139.13 1865.13 213.92 o
0 6 5 5228.17 5374.52 149.60 o
2 6 5 4280.80 4475.85 161.72 o
1 7 5 4128.68 4135.38 96.76 o
0 8 5 5222.65 5092.66 275.31 o
2 8 5 4587.34 4927.86 272.96 o
1 9 5 2078.89 2292.18 158.13 o
0 10 5 69.06 349.69 144.46 o
0 0 6 13463.52 13038.86 686.72 o
1 1 6 149.24 213.45 65.60 o
0 2 6 7.18 123.98 73.39 o
1 3 6 8341.67 7350.65 270.87 o
0 4 6 2697.15 2688.97 274.27 o