#------------------------------------------------------------------------------
#$Date: 2020-12-05 07:26:19 +0200 (Sat, 05 Dec 2020) $
#$Revision: 259553 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/22/2022291.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_2022291
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.4618
_cell_length_b                   6.4618
_cell_length_c                   7.7333
_exptl_crystal_F_000             332.00
_reflns_d_resolution_high        0.7451
_cod_data_source_file            ku3266Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' Li2PbSiS4 in I-42m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            187.32
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'-x, y, -z'
'x, -y, -z'
'-y, -x, z'
'y, x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+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
1 1 0 30426.62 30858.96 565.97 o
0 2 0 8358.06 8537.09 165.54 o
2 2 0 35089.70 34485.57 611.88 o
1 3 0 9893.84 10236.75 153.37 o
3 3 0 23266.93 22283.51 456.83 o
0 4 0 15163.13 14973.19 296.23 o
2 4 0 10983.37 10884.96 191.87 o
4 4 0 6848.19 6806.95 238.85 o
1 5 0 11226.59 11100.00 260.71 o
3 5 0 1101.07 1239.71 70.92 o
5 5 0 8636.91 8917.28 303.81 o
0 6 0 11576.57 11590.80 358.00 o
2 6 0 2710.72 2776.17 116.97 o
4 6 0 4026.53 4119.31 163.58 o
6 6 0 2754.34 2584.15 171.29 o
1 7 0 2334.99 2443.41 123.87 o
3 7 0 4490.31 4575.76 188.54 o
5 7 0 605.62 460.28 81.02 o
0 8 0 283.32 274.28 76.46 o
2 8 0 4801.43 4713.60 194.94 o
0 1 1 10104.15 9792.34 115.60 o
-1 2 1 15463.35 16224.84 218.18 o
1 2 1 18400.27 18543.73 227.34 o
-2 3 1 4647.07 4673.17 76.63 o
0 3 1 17960.71 18216.82 241.69 o
2 3 1 3652.62 3686.44 74.20 o
-3 4 1 4583.43 4519.23 117.75 o
-1 4 1 9648.48 9350.13 150.10 o
1 4 1 7032.74 6921.11 127.63 o
3 4 1 5568.39 5674.28 109.22 o
-4 5 1 1934.83 1938.58 101.62 o
-2 5 1 6611.83 6428.52 153.43 o
0 5 1 1382.52 1503.73 68.63 o
2 5 1 6260.55 6305.21 135.71 o
4 5 1 2357.21 2432.71 97.40 o
-5 6 1 660.12 603.99 63.71 o
-3 6 1 3402.21 3365.00 137.02 o
-1 6 1 2297.61 2245.61 105.54 o
1 6 1 3506.01 3642.66 129.05 o
3 6 1 2968.57 3061.62 147.20 o
5 6 1 401.94 412.03 61.53 o
-4 7 1 1826.33 1613.65 145.86 o
-2 7 1 909.92 785.40 79.68 o
0 7 1 2682.39 2645.70 125.92 o
2 7 1 1550.24 1590.66 107.03 o
4 7 1 1099.36 948.67 89.69 o
-3 8 1 167.48 139.23 62.40 o
-1 8 1 1405.90 1396.20 112.78 o
1 8 1 1283.91 1237.91 93.84 o
3 8 1 175.39 128.82 60.50 o
0 0 2 13009.29 12581.32 288.30 o
-1 1 2 31161.12 30304.10 499.37 o
1 1 2 26550.82 26951.41 420.46 o
-2 2 2 13010.00 12641.13 242.44 o
0 2 2 25292.44 24660.05 285.86 o
2 2 2 11245.41 11204.05 189.93 o
-3 3 2 7800.63 7750.64 198.10 o
-1 3 2 18171.85 18450.46 239.83 o
1 3 2 19653.10 19600.57 256.67 o
3 3 2 7310.95 7357.43 160.80 o
-4 4 2 8381.56 8374.42 287.89 o
-2 4 2 8983.99 8976.80 170.25 o
0 4 2 9775.38 9934.85 160.68 o
2 4 2 10751.08 10713.21 167.82 o
4 4 2 6465.03 6331.50 186.23 o
-5 5 2 2017.24 1942.21 178.49 o
-3 5 2 8796.37 8887.60 186.40 o
-1 5 2 6629.35 6545.12 128.72 o
1 5 2 7212.89 7055.08 143.31 o
3 5 2 8505.80 8629.00 178.31 o
5 5 2 2004.06 1958.07 132.97 o
-6 6 2 1640.00 1609.36 149.61 o
-4 6 2 2849.45 2951.55 157.07 o
-2 6 2 6062.72 6047.35 159.20 o
0 6 2 3209.99 3226.78 111.93 o
2 6 2 5184.44 5100.54 146.11 o
4 6 2 3802.81 3937.54 146.65 o
6 6 2 1192.85 952.73 149.36 o
-3 7 2 1977.84 2013.42 122.24 o
-1 7 2 5032.92 5045.17 183.44 o
1 7 2 4042.38 3934.25 147.19 o
3 7 2 2396.20 2539.31 150.86 o
-2 8 2 953.87 862.11 91.82 o
0 8 2 3066.78 3034.28 144.56 o
2 8 2 1080.41 833.52 100.67 o
0 1 3 17214.72 17226.31 202.12 o
-1 2 3 5049.79 5068.80 90.39 o
1 2 3 5507.72 5552.50 77.06 o
-2 3 3 13118.11 13177.69 194.25 o
0 3 3 756.63 773.34 30.49 o
2 3 3 12924.92 12951.58 170.92 o
-3 4 3 2719.77 2773.57 101.02 o
-1 4 3 5282.50 5330.66 96.03 o
1 4 3 4807.08 4814.46 105.09 o
3 4 3 2928.59 2965.23 87.88 o
-4 5 3 1926.79 1903.52 108.77 o
-2 5 3 502.05 473.60 44.28 o
0 5 3 10842.45 10726.58 210.08 o
2 5 3 470.51 460.93 42.54 o
4 5 3 1971.18 2058.01 91.39 o
-5 6 3 2322.48 2252.99 142.60 o
-3 6 3 443.65 359.27 59.88 o
-1 6 3 2798.67 2989.80 127.42 o
1 6 3 3052.30 3215.88 116.81 o
3 6 3 337.81 311.88 55.19 o
5 6 3 2287.06 2257.91 128.91 o
-4 7 3 855.03 727.58 97.09 o
-2 7 3 2027.17 2285.85 138.81 o
0 7 3 344.43 399.81 59.38 o
2 7 3 2127.21 2124.56 120.13 o
4 7 3 734.44 676.48 96.11 o
-1 8 3 321.33 304.40 79.79 o
1 8 3 269.87 119.91 54.10 o
0 0 4 6207.76 6114.05 174.97 o
-1 1 4 11993.67 11968.17 228.56 o
1 1 4 14330.18 13691.53 233.60 o
-2 2 4 6949.11 7007.98 167.82 o
0 2 4 22586.12 22024.24 288.50 o
2 2 4 7962.92 7785.04 155.08 o
-3 3 4 2667.29 2657.92 127.33 o
-1 3 4 12052.13 12178.64 173.65 o
1 3 4 11231.55 11238.07 165.39 o
3 3 4 2936.87 3032.68 96.89 o
-4 4 4 5017.79 4812.07 247.65 o
-2 4 4 8541.86 8850.95 160.98 o
0 4 4 7488.40 7630.39 153.43 o
2 4 4 7461.65 7560.51 147.85 o
4 4 4 6194.98 6329.16 191.07 o
-5 5 4 591.89 526.61 92.72 o
-3 5 4 7148.52 7121.72 180.14 o
-1 5 4 3665.27 3839.66 114.15 o
1 5 4 3263.69 3305.83 102.67 o
3 5 4 7340.22 7291.66 176.83 o
5 5 4 614.89 618.28 108.29 o
-4 6 4 2697.01 2569.41 144.60 o
-2 6 4 4967.72 5134.07 169.07 o
0 6 4 2165.01 2109.88 102.46 o
2 6 4 5498.69 5532.69 164.81 o
4 6 4 2127.98 2009.90 130.71 o
-3 7 4 1097.94 955.36 117.70 o
-1 7 4 2714.36 2998.22 173.92 o
1 7 4 3349.56 3314.41 139.73 o
3 7 4 840.24 665.17 87.30 o
0 8 4 3541.83 3557.66 190.21 o
0 1 5 4824.44 4846.52 81.50 o
-1 2 5 7101.54 7160.19 109.92 o
1 2 5 5414.39 5391.17 110.67 o
-2 3 5 2390.87 2432.30 86.99 o
0 3 5 5264.14 5282.70 103.52 o
2 3 5 3066.44 3130.26 85.27 o
-3 4 5 2681.34 2660.40 104.05 o
-1 4 5 3673.27 3571.80 101.53 o
1 4 5 5495.32 5377.76 194.80 o
3 4 5 1960.08 1994.99 82.86 o
-4 5 5 1366.74 1402.43 102.22 o
-2 5 5 2098.86 2046.54 104.85 o
0 5 5 1331.52 1352.70 75.60 o
2 5 5 2339.94 2571.09 112.68 o
4 5 5 1070.55 1077.80 92.21 o
-3 6 5 1231.58 1218.19 104.98 o
-1 6 5 2280.08 2540.19 135.69 o
1 6 5 1382.28 1318.13 96.41 o
3 6 5 1560.72 1534.54 99.51 o
-2 7 5 1168.29 1213.38 116.21 o
0 7 5 956.37 970.78 83.48 o
2 7 5 703.89 665.84 79.60 o
0 0 6 17952.09 18148.50 528.42 o
-1 1 6 8724.13 8822.47 204.60 o
1 1 6 9455.25 9270.59 219.15 o
-2 2 6 9110.50 9229.75 248.42 o
0 2 6 2018.69 2056.43 73.46 o
2 2 6 9401.06 9360.69 230.82 o
-3 3 6 9242.54 9766.80 292.55 o
-1 3 6 3986.16 3991.33 96.16 o
1 3 6 3669.42 3754.77 107.95 o
3 3 6 9369.65 9338.29 252.95 o
-4 4 6 2144.29 1973.23 191.98 o
-2 4 6 3541.29 3656.68 114.66 o
0 4 6 4327.28 4485.65 121.98 o
2 4 6 3202.81 3355.78 117.34 o
4 4 6 2537.42 2554.50 146.40 o
-5 5 6 3919.55 3803.64 247.07 o
-3 5 6 500.72 434.35 64.38 o
-1 5 6 4826.45 4997.54 158.77 o
1 5 6 4748.28 4947.98 146.64 o
3 5 6 550.85 555.37 64.74 o
5 5 6 3905.87 3583.93 440.58 o
-2 6 6 758.81 642.99 71.48 o
0 6 6 4163.14 4154.25 156.99 o
2 6 6 951.59 1059.40 101.07 o
-1 7 6 1081.12 1008.48 111.44 o
1 7 6 1273.30 1200.01 106.60 o
0 1 7 1374.06 1420.16 68.99 o
-1 2 7 2984.86 3041.39 98.81 o
1 2 7 3613.45 3707.64 103.20 o
-2 3 7 544.68 517.77 54.71 o
0 3 7 5113.76 5195.03 133.25 o
2 3 7 309.54 267.73 39.64 o
-3 4 7 1143.38 1136.79 89.13 o
-1 4 7 1962.96 1985.01 91.60 o
1 4 7 1286.90 1321.71 82.66 o
3 4 7 1387.74 1317.12 80.67 o
-4 5 7 434.81 359.90 79.35 o
-2 5 7 2360.90 2297.11 141.79 o
0 5 7 90.14 116.43 40.54 o
2 5 7 2238.93 2258.31 110.60 o
4 5 7 579.08 470.83 70.97 o
-1 6 7 430.65 461.20 69.09 o
1 6 7 740.70 701.01 91.70 o
0 0 8 3519.95 3423.41 234.52 o
-1 1 8 4699.37 4937.06 173.72 o
1 1 8 3547.21 3537.90 164.35 o
-2 2 8 3337.36 3440.22 205.67 o
0 2 8 3251.61 3332.26 123.06 o
2 2 8 2822.59 2882.81 155.26 o
-3 3 8 1778.29 1666.04 253.07 o
-1 3 8 2413.63 2275.42 120.18 o
1 3 8 2862.85 2769.79 120.09 o
3 3 8 1619.96 1657.66 138.81 o
-2 4 8 1953.51 1942.45 122.90 o
0 4 8 2286.27 2078.80 107.79 o
2 4 8 2532.58 2444.37 115.87 o
-1 5 8 1334.38 1164.83 110.12 o
1 5 8 1534.81 1685.69 99.53 o
0 1 9 1688.11 1711.49 94.41 o
-1 2 9 438.64 394.12 60.51 o
1 2 9 723.94 599.99 62.16 o
-2 3 9 1758.50 1672.70 118.09 o
0 3 9 66.92 24.54 37.26 o
2 3 9 1628.19 1464.97 94.75 o
-1 4 9 921.98 859.01 93.75 o
1 4 9 592.42 592.78 67.62 o
0 0 10 162.65 226.57 104.05 o
-1 1 10 1122.64 1033.49 137.75 o
1 1 10 1358.55 1330.72 122.91 o
0 2 10 2697.37 2487.07 129.41 o