#------------------------------------------------------------------------------
#$Date: 2024-02-17 05:12:43 +0200 (Sat, 17 Feb 2024) $
#$Revision: 289862 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/07/2300736.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_2300736
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.4329
_cell_length_b                   11.2463
_cell_length_c                   4.1735
_exptl_crystal_F_000             364.00
_reflns_d_resolution_high        0.6759
_cod_data_source_file            nb5371NdGasup2.hkl
_cod_data_source_block           NdGa
_shelx_title                     ' NdGa_dec21_900C5d_0m_a.res in Cmcm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            272.88
_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 74461.68 73717.84 585.85 o
4 0 0 30317.85 29848.38 368.41 o
6 0 0 11102.01 11858.27 314.94 o
1 1 0 1104.67 1082.17 35.97 o
3 1 0 660.55 714.55 32.39 o
5 1 0 504.54 599.47 77.50 o
0 2 0 742.55 746.40 23.79 o
2 2 0 400.14 391.10 19.23 o
4 2 0 101.26 86.74 47.52 o
6 2 0 9.38 115.39 83.16 o
1 3 0 40155.93 40438.56 192.30 o
3 3 0 20093.18 20198.03 155.77 o
5 3 0 8463.00 8539.70 260.11 o
0 4 0 38716.99 39041.81 276.08 o
2 4 0 26273.21 25978.72 159.41 o
4 4 0 12221.07 12088.83 179.26 o
6 4 0 4979.79 5122.02 179.97 o
1 5 0 82.32 54.60 18.76 o
3 5 0 22.52 39.19 20.42 o
5 5 0 0.16 -9.59 58.28 o
0 6 0 586.06 635.69 31.36 o
2 6 0 493.93 505.58 24.99 o
4 6 0 424.61 521.28 68.54 o
6 6 0 300.01 373.56 132.34 o
1 7 0 49305.08 48507.94 273.20 o
3 7 0 28957.52 28917.83 237.37 o
5 7 0 12779.19 12862.38 277.95 o
0 8 0 720.05 748.65 73.28 o
2 8 0 660.72 612.54 39.51 o
4 8 0 549.37 589.40 88.21 o
1 9 0 410.76 452.56 53.34 o
3 9 0 196.46 406.81 52.09 o
5 9 0 53.37 146.66 126.79 o
0 10 0 14562.03 15208.80 261.27 o
2 10 0 11716.91 11637.54 181.76 o
4 10 0 6644.24 6874.11 519.84 o
1 11 0 10861.66 11137.38 174.14 o
3 11 0 7453.17 7581.88 166.91 o
0 12 0 16.40 6.54 83.51 o
2 12 0 19.94 -13.29 65.59 o
4 12 0 24.41 -126.35 137.26 o
1 13 0 276.31 302.01 69.69 o
3 13 0 247.33 221.12 118.33 o
0 14 0 13698.64 13957.17 397.51 o
2 14 0 11410.63 11767.82 287.71 o
1 15 0 448.94 279.45 95.96 o
0 16 0 124.87 92.10 179.74 o
1 1 1 38988.79 39113.20 134.54 o
3 1 1 19244.20 19365.31 119.64 o
5 1 1 7878.62 8035.33 129.38 o
0 2 1 13765.34 13660.36 94.40 o
2 2 1 9359.70 9363.00 53.68 o
4 2 1 4880.54 4715.91 74.65 o
6 2 1 2393.29 2511.36 116.77 o
1 3 1 30677.27 30609.88 128.89 o
3 3 1 15542.41 15630.30 103.81 o
5 3 1 5991.53 5996.41 110.39 o
0 4 1 28522.51 28580.62 171.52 o
2 4 1 19679.73 19767.50 95.08 o
4 4 1 8621.62 8646.58 89.49 o
6 4 1 3117.06 2952.09 119.42 o
1 5 1 8195.37 8268.91 51.56 o
3 5 1 5160.81 5074.13 59.35 o
5 5 1 2846.69 2942.42 85.98 o
0 6 1 27713.01 27844.00 190.95 o
2 6 1 20492.66 20294.71 96.47 o
4 6 1 10253.41 10277.61 99.63 o
6 6 1 4224.79 4314.71 254.12 o
1 7 1 2.13 6.12 15.75 o
3 7 1 1.93 -19.38 19.38 o
5 7 1 1.55 19.85 60.85 o
0 8 1 16130.01 16139.38 165.13 o
2 8 1 12554.51 12691.08 100.39 o
4 8 1 6742.04 6751.06 110.40 o
1 9 1 5775.32 5764.24 71.15 o
3 9 1 4177.16 4103.29 85.88 o
5 9 1 2384.53 1977.86 147.41 o
0 10 1 11656.31 11717.10 172.56 o
2 10 1 9191.29 9060.61 169.30 o
4 10 1 4922.00 4816.65 166.85 o
1 11 1 7359.05 7449.00 106.56 o
3 11 1 4755.23 4626.70 246.11 o
0 12 1 3042.23 3130.80 118.71 o
2 12 1 2658.47 2603.36 110.49 o
4 12 1 1806.69 1598.89 153.78 o
1 13 1 8287.97 8409.22 144.97 o
3 13 1 5805.04 5654.44 162.53 o
0 14 1 5.49 -60.71 76.20 o
2 14 1 5.14 117.65 71.55 o
1 15 1 3734.60 3538.32 147.22 o
0 16 1 2169.04 1776.76 204.66 o
0 0 2 71114.10 70260.23 483.09 o
2 0 2 50383.18 49797.89 277.13 o
4 0 2 23551.36 23623.34 257.93 o
6 0 2 9180.32 7956.13 859.27 o
1 1 2 681.68 731.19 18.97 o
3 1 2 533.19 583.36 30.03 o
5 1 2 430.92 433.98 54.31 o
0 2 2 422.90 473.25 24.25 o
2 2 2 272.61 282.49 15.62 o
4 2 2 69.25 67.20 29.97 o
6 2 2 7.12 -83.55 176.19 o
1 3 2 25900.26 25950.31 134.01 o
3 3 2 15100.09 14815.69 102.38 o
5 3 2 6878.01 6790.58 111.50 o
0 4 2 25043.90 25537.32 157.41 o
2 4 2 18736.14 18820.66 107.06 o
4 4 2 9695.36 9771.94 98.76 o
6 4 2 4149.88 4836.19 530.24 o
1 5 2 55.29 72.17 16.11 o
3 5 2 12.36 10.51 19.93 o
5 5 2 0.30 -23.35 49.11 o
0 6 2 425.18 448.83 31.10 o
2 6 2 405.99 407.92 25.58 o
4 6 2 365.80 318.52 42.47 o
1 7 2 36060.43 36173.75 200.14 o
3 7 2 22565.57 22511.05 159.38 o
5 7 2 10489.89 10130.26 239.20 o
0 8 2 588.48 659.97 52.85 o
2 8 2 561.08 572.68 38.63 o
4 8 2 468.51 465.52 51.99 o
1 9 2 292.31 246.60 35.29 o
3 9 2 145.93 167.28 35.28 o
5 9 2 42.78 236.75 157.82 o
0 10 2 11365.47 11478.55 180.13 o
2 10 2 9315.58 9489.57 126.45 o
4 10 2 5460.14 5231.16 153.28 o
1 11 2 8669.22 8724.53 141.03 o
3 11 2 6085.55 6354.09 190.09 o
0 12 2 16.14 45.44 59.63 o
2 12 2 18.62 -18.35 73.67 o
4 12 2 21.27 132.21 205.00 o
1 13 2 238.24 231.08 69.69 o
3 13 2 211.25 86.79 125.53 o
0 14 2 11186.24 11205.73 321.40 o
2 14 2 9403.34 9375.27 401.05 o
1 15 2 381.48 278.11 109.53 o
1 1 3 17922.10 17814.36 103.47 o
3 1 3 11157.06 11052.55 108.10 o
5 1 3 5232.18 5294.16 94.62 o
0 2 3 6208.92 6092.35 77.29 o
2 2 3 5130.52 5014.95 84.47 o
4 2 3 3257.54 3405.79 78.48 o
1 3 3 14830.44 14964.75 96.53 o
3 3 3 8961.74 9215.32 99.28 o
5 3 3 3947.25 4024.43 113.38 o
0 4 3 13825.44 13745.43 124.17 o
2 4 3 10610.49 10610.89 96.44 o
4 4 3 5389.10 5470.43 88.36 o
1 5 3 4553.16 4484.79 53.86 o
3 5 3 3370.71 3316.54 66.43 o
5 5 3 1981.86 1942.07 72.28 o
0 6 3 14929.41 15052.51 147.75 o
2 6 3 11948.34 11764.75 119.59 o
4 6 3 6676.25 6929.59 105.63 o
1 7 3 1.53 -28.54 28.54 o
3 7 3 1.45 72.65 33.28 o
5 7 3 1.12 103.98 300.81 o
0 8 3 9477.20 9648.02 134.52 o
2 8 3 7740.70 7591.00 107.50 o
4 8 3 4497.29 4545.82 168.02 o
1 9 3 3765.65 3760.38 78.30 o
3 9 3 2840.30 3071.34 100.04 o
0 10 3 7129.74 7024.45 158.08 o
2 10 3 5807.38 5707.67 112.77 o
4 10 3 3330.09 3075.77 326.35 o
1 11 3 4635.54 4694.37 102.68 o
3 11 3 3148.35 2997.86 112.75 o
0 12 3 2094.07 2061.61 179.68 o
2 12 3 1846.89 1870.53 113.72 o
1 13 3 5550.55 5318.82 181.27 o
0 14 3 4.01 43.08 199.05 o
0 0 4 27354.21 27351.65 313.65 o
2 0 4 21946.00 21802.23 247.47 o
4 0 4 12241.60 12500.85 228.19 o
1 1 4 360.69 408.63 35.66 o
3 1 4 342.67 460.75 48.42 o
0 2 4 135.22 264.14 38.39 o
2 2 4 88.86 121.36 36.30 o
4 2 4 26.49 46.03 45.13 o
1 3 4 11045.90 11104.13 102.12 o
3 3 4 7548.08 7562.71 107.46 o
0 4 4 10739.17 10546.77 135.18 o
2 4 4 8846.29 8630.78 103.37 o
4 4 4 5245.23 5130.39 142.62 o
1 5 4 11.77 55.76 32.22 o
3 5 4 2.03 39.68 44.40 o
0 6 4 273.86 217.62 54.66 o
2 6 4 268.09 306.15 47.06 o
4 6 4 230.36 301.42 65.33 o
1 7 4 17167.10 16665.31 153.18 o
3 7 4 11793.00 11405.90 162.50 o
0 8 4 376.67 469.28 64.64 o
2 8 4 357.07 383.45 54.87 o
1 9 4 123.03 74.15 44.93 o
3 9 4 69.01 117.16 86.13 o
0 10 4 5977.79 6044.53 156.96 o
2 10 4 5057.74 5060.54 132.02 o
1 11 4 4742.76 4812.61 126.87 o
0 12 4 12.57 -87.79 95.49 o
1 1 5 6768.65 7019.80 107.57 o
3 1 5 4766.43 4649.33 151.99 o
0 2 5 2636.91 2685.37 98.53 o
2 2 5 2312.99 2323.26 79.10 o
1 3 5 5492.84 5728.45 104.63 o
3 3 5 3757.22 4095.82 172.21 o
0 4 5 5111.01 5242.22 141.71 o
2 4 5 4202.20 4292.22 117.76 o
1 5 5 2076.81 2192.90 90.18 o
3 5 5 1621.36 1317.25 281.07 o
0 6 5 6077.95 6246.41 160.92 o
2 6 5 5121.04 5153.25 133.68 o
1 7 5 0.88 109.43 54.08 o
0 8 5 4091.50 3889.24 200.11 o
2 8 5 3479.63 3731.89 464.14 o
1 9 5 1802.10 1690.32 295.61 o
0 0 6 9370.96 9497.91 574.80 o
1 1 6 177.81 439.43 100.09 o
0 2 6 31.91 240.65 289.67 o
1 3 6 4018.80 3722.97 293.38 o