#------------------------------------------------------------------------------
#$Date: 2024-02-17 05:12:43 +0200 (Sat, 17 Feb 2024) $
#$Revision: 289862 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/07/2300737.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_2300737
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.1855
_cell_length_b                   11.9137
_cell_length_c                   4.1857
_exptl_crystal_F_000             364.00
_reflns_d_resolution_high        0.6780
_cod_data_source_file            nb5371NdGaH0.9sup3.hkl
_cod_data_source_block           NdGaH0.9
_shelx_title                     ' NdGaHx_DSC400_375_0m_a.res in Cmcm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            270.22
_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 71035.36 70611.93 523.02 o
4 0 0 27389.20 28783.09 632.86 o
6 0 0 9706.76 10213.00 168.85 o
1 1 0 305.69 292.68 3.91 o
3 1 0 359.11 388.78 7.58 o
5 1 0 497.39 480.48 18.51 o
0 2 0 49.95 21.37 1.56 o
2 2 0 3.37 9.43 1.87 o
4 2 0 38.86 47.58 5.43 o
6 2 0 106.63 108.13 24.28 o
1 3 0 57112.96 54630.75 439.12 o
3 3 0 27088.97 27117.23 177.18 o
5 3 0 10975.46 11236.50 122.51 o
0 4 0 18478.92 18019.46 144.84 o
2 4 0 12317.01 11873.62 76.28 o
4 4 0 5981.52 5945.22 54.59 o
1 5 0 2101.62 2171.57 17.32 o
3 5 0 1023.51 1054.11 16.10 o
5 5 0 375.03 362.88 19.62 o
0 6 0 10790.11 10462.96 88.88 o
2 6 0 8113.23 8026.58 62.77 o
4 6 0 4855.82 4857.65 48.51 o
1 7 0 39730.07 38667.02 221.28 o
3 7 0 21932.87 21691.36 158.41 o
5 7 0 9190.42 9156.48 129.16 o
0 8 0 3355.86 3281.36 34.54 o
2 8 0 2174.53 2137.34 21.39 o
4 8 0 685.49 699.94 16.41 o
1 9 0 1464.22 1433.52 14.76 o
3 9 0 1409.45 1505.88 22.43 o
5 9 0 1144.73 1086.71 32.74 o
0 10 0 31549.42 31762.10 290.23 o
2 10 0 24263.85 24123.40 164.89 o
4 10 0 12563.10 12669.89 124.42 o
1 11 0 10.74 76.53 15.90 o
3 11 0 40.49 71.30 18.56 o
0 12 0 2369.53 2346.20 52.57 o
2 12 0 2048.20 2029.99 25.06 o
4 12 0 1375.07 1444.80 31.25 o
1 13 0 9736.82 9565.44 84.81 o
3 13 0 6912.20 6989.50 79.30 o
0 14 0 4299.65 4358.82 85.79 o
2 14 0 3520.67 3474.76 51.02 o
1 15 0 3243.37 3310.94 47.65 o
0 16 0 2486.41 2536.58 51.70 o
2 16 0 2271.17 2212.90 64.52 o
1 17 0 6311.46 6249.73 186.55 o
1 1 1 39661.03 38490.18 174.32 o
3 1 1 18876.83 18481.10 88.25 o
5 1 1 7698.03 7740.72 70.51 o
0 2 1 14562.80 14715.98 76.88 o
2 2 1 9963.02 10088.25 46.79 o
4 2 1 5562.01 5568.43 42.67 o
6 2 1 2934.43 2938.84 80.23 o
1 3 1 16329.56 17052.55 75.28 o
3 3 1 7356.88 7307.35 61.13 o
5 3 1 2388.96 2396.33 34.07 o
0 4 1 49314.32 48818.96 311.38 o
2 4 1 32477.69 31849.93 132.68 o
4 4 1 13475.11 13446.71 87.80 o
1 5 1 7040.65 7435.77 38.16 o
3 5 1 4944.92 4939.03 32.09 o
5 5 1 3253.41 3226.16 42.28 o
0 6 1 20598.56 20481.07 154.07 o
2 6 1 14284.39 14166.81 74.01 o
4 6 1 6185.72 6217.46 44.11 o
1 7 1 12744.12 12968.66 62.41 o
3 7 1 7104.91 7236.54 44.16 o
5 7 1 2956.87 2978.36 37.75 o
0 8 1 16061.92 16130.51 116.67 o
2 8 1 12669.20 12568.48 65.14 o
4 8 1 7326.15 7221.67 56.36 o
1 9 1 5659.64 5526.83 32.17 o
3 9 1 3820.47 3893.93 31.68 o
5 9 1 2035.12 2112.26 36.26 o
0 10 1 21.45 27.80 3.33 o
2 10 1 34.93 48.94 3.63 o
4 10 1 60.55 82.19 7.00 o
1 11 1 21210.27 21273.61 109.68 o
3 11 1 13602.24 13703.40 88.27 o
0 12 1 1660.69 1654.86 22.61 o
2 12 1 1587.31 1584.06 17.75 o
4 12 1 1311.78 1285.13 23.76 o
1 13 1 1474.16 1586.29 18.01 o
3 13 1 794.97 837.00 17.88 o
0 14 1 12983.51 12839.18 121.63 o
2 14 1 10544.56 10641.15 79.11 o
1 15 1 2701.86 2638.77 29.64 o
0 16 1 858.05 861.51 22.92 o
2 16 1 697.54 793.09 55.40 o
1 17 1 2708.73 2660.30 91.55 o
0 0 2 73021.34 75079.84 518.70 o
2 0 2 49878.07 50434.71 301.52 o
4 0 2 22058.32 21564.22 365.51 o
1 1 2 197.93 233.93 3.99 o
3 1 2 313.35 331.35 7.41 o
5 1 2 434.23 438.35 18.05 o
0 2 2 25.60 21.74 1.68 o
2 2 2 1.79 13.76 2.42 o
4 2 2 39.53 59.14 5.59 o
1 3 2 37799.58 38111.28 156.69 o
3 3 2 21032.01 21192.40 116.88 o
5 3 2 9203.96 9294.74 90.89 o
0 4 2 12146.86 11998.98 72.27 o
2 4 2 9083.93 9087.62 49.93 o
4 4 2 4929.43 4839.08 45.49 o
1 5 2 1477.76 1549.60 11.15 o
3 5 2 799.03 818.65 12.16 o
5 5 2 314.19 307.75 15.07 o
0 6 2 7702.97 7623.90 51.95 o
2 6 2 6320.90 6267.89 39.11 o
4 6 2 4074.16 4082.39 41.51 o
1 7 2 29561.67 29367.55 155.84 o
3 7 2 17574.95 17395.49 105.18 o
5 7 2 7780.86 7680.49 102.15 o
0 8 2 2449.52 2460.59 24.27 o
2 8 2 1635.87 1659.64 16.05 o
4 8 2 550.99 575.23 15.64 o
1 9 2 1237.19 1229.16 13.09 o
3 9 2 1215.30 1210.93 15.98 o
0 10 2 24836.65 24628.80 164.77 o
2 10 2 19576.35 19761.03 112.55 o
4 10 2 10566.01 10501.78 107.10 o
1 11 2 13.00 25.30 3.62 o
3 11 2 38.00 76.65 11.20 o
0 12 2 1972.51 1948.79 22.60 o
2 12 2 1722.80 1759.12 22.51 o
4 12 2 1180.43 1145.46 87.11 o
1 13 2 8109.56 8184.65 60.88 o
3 13 2 5866.70 6030.94 59.05 o
0 14 2 3578.35 3600.68 43.79 o
2 14 2 2962.10 2980.80 31.51 o
1 15 2 2720.62 2774.32 34.49 o
0 16 2 2140.40 2088.10 96.36 o
1 1 3 19313.70 19659.38 93.42 o
3 1 3 11753.46 11704.92 71.77 o
5 1 3 5467.97 5116.29 128.01 o
0 2 3 6896.91 7068.85 50.48 o
2 2 3 5813.97 5947.77 39.59 o
4 2 3 3908.62 3848.07 38.20 o
1 3 3 8264.32 8576.63 41.00 o
3 3 3 4468.31 4683.96 40.76 o
5 3 3 1671.70 1606.99 71.37 o
0 4 3 24955.91 24881.44 163.26 o
2 4 3 18653.93 18669.64 114.53 o
4 4 3 9052.43 9014.32 71.14 o
1 5 3 4131.14 4170.12 27.38 o
3 5 3 3458.93 3428.34 34.92 o
5 5 3 2400.51 2329.63 55.30 o
0 6 3 11339.78 11331.50 88.07 o
2 6 3 8580.30 8611.92 57.93 o
4 6 3 4215.49 4176.68 43.53 o
1 7 3 7521.09 7522.06 46.41 o
3 7 3 4675.08 4727.36 42.73 o
0 8 3 10021.50 10004.84 88.66 o
2 8 3 8384.20 8344.74 52.33 o
4 8 3 5232.69 5186.32 54.94 o
1 9 3 3703.56 3687.93 29.57 o
3 9 3 2665.30 2677.19 30.49 o
0 10 3 22.13 33.91 7.29 o
2 10 3 31.34 35.22 4.29 o
4 10 3 47.17 73.23 24.67 o
1 11 3 14132.71 14222.35 96.07 o
3 11 3 9553.32 9209.15 143.82 o
0 12 3 1232.38 1399.99 30.85 o
2 12 3 1179.59 1177.31 19.02 o
1 13 3 975.44 1009.76 19.34 o
0 14 3 9096.94 8928.79 297.52 o
2 14 3 7542.91 7521.97 74.76 o
1 15 3 1995.01 1989.27 61.18 o
0 0 4 30283.57 31730.86 341.98 o
2 0 4 23716.34 24116.92 175.70 o
4 0 4 12604.42 12605.42 189.94 o
1 1 4 142.83 172.00 7.12 o
3 1 4 236.07 247.16 9.84 o
0 2 4 2.23 14.46 4.42 o
2 2 4 1.85 14.55 3.39 o
4 2 4 34.41 33.67 6.58 o
1 3 4 17257.91 17609.02 94.46 o
3 3 4 11404.17 11368.93 83.85 o
0 4 4 5681.09 5593.67 60.05 o
2 4 4 4747.39 4631.34 39.10 o
4 4 4 2947.69 2873.63 34.14 o
1 5 4 691.77 734.42 12.58 o
3 5 4 431.11 445.04 12.42 o
0 6 4 4072.20 3949.78 49.46 o
2 6 4 3594.41 3530.34 33.29 o
4 6 4 2521.88 2431.30 36.19 o
1 7 4 15034.88 14823.07 102.62 o
3 7 4 9951.86 9832.79 82.02 o
0 8 4 1126.37 1102.20 23.90 o
2 8 4 803.60 813.54 17.49 o
1 9 4 815.75 812.07 15.43 o
3 9 4 792.41 776.34 19.70 o
0 10 4 13654.36 13488.89 130.06 o
2 10 4 11223.50 11169.00 85.44 o
1 11 4 14.50 21.46 4.84 o
0 12 4 1203.62 1137.88 34.18 o
2 12 4 1071.98 1064.45 46.05 o
1 13 4 4953.56 4933.21 99.45 o
1 1 5 8130.99 8140.06 61.36 o
3 1 5 5650.55 5578.31 72.54 o
0 2 5 3202.50 3252.68 51.40 o
2 2 5 2880.67 2862.37 34.65 o
1 3 5 3305.49 3355.92 35.26 o
3 3 5 2061.88 2047.65 30.26 o
0 4 5 10309.48 10339.42 137.99 o
2 4 5 8318.32 8154.52 71.14 o
1 5 5 2151.74 2166.96 29.92 o
3 5 5 1874.54 1866.49 37.93 o
0 6 5 4885.40 5085.88 82.25 o
2 6 5 3946.97 3868.12 46.75 o
1 7 5 3434.05 3476.94 40.38 o
0 8 5 4913.52 4833.55 80.28 o
2 8 5 4272.44 4102.01 104.07 o
1 9 5 1870.53 1790.57 30.23 o
0 0 6 11742.61 12184.17 284.46 o
1 1 6 99.87 105.20 9.88 o
0 2 6 1.43 13.33 10.49 o
1 3 6 7055.42 6960.33 122.16 o
0 4 6 2401.86 2273.88 108.69 o