#------------------------------------------------------------------------------
#$Date: 2022-09-29 05:07:27 +0300 (Thu, 29 Sep 2022) $
#$Revision: 278264 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/06/2300694.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_2300694
_cell_angle_alpha                90
_cell_angle_beta                 104.413(3)
_cell_angle_gamma                90
_cell_length_a                   5.5124(4)
_cell_length_b                   11.9341(14)
_cell_length_c                   5.5167(6)
_exptl_crystal_F_000             456
_reflns_d_resolution_high        0.5474
_cod_data_source_file            iu5026sup3.hkl
_cod_data_source_block           Sc3CoC4_6.7K_3.3GPa
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            216.79
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'-x, -y, -z'
'x, -y, z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x+1/2, -y+1/2, -z'
'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
8 0 0 9309.42 8113.44 289.93 o
1 1 0 7.57 7.52 0.49 o
3 1 0 50.06 52.17 1.70 o
5 1 0 62.26 73.31 3.55 o
7 1 0 60.50 167.31 14.42 o
2 2 0 52839.00 46996.30 1745.26 o
4 2 0 1693.62 1402.84 27.07 o
6 2 0 13521.60 10809.60 234.17 o
8 2 0 332.41 310.65 27.37 o
3 3 0 41.37 43.24 2.93 o
5 3 0 63.77 69.08 4.86 o
4 4 0 12484.30 10522.90 231.98 o
6 4 0 2142.97 1778.81 43.10 o
5 5 0 54.39 58.28 6.20 o
-6 0 1 161.31 197.85 12.73 o
-4 0 1 125.98 145.69 4.98 o
2 0 1 139.70 134.88 4.10 o
4 0 1 213.50 192.68 5.85 o
6 0 1 215.58 170.13 11.24 o
8 0 1 207.57 266.00 57.07 o
-7 1 1 444.87 393.83 18.79 o
-5 1 1 3864.70 2991.78 68.70 o
-3 1 1 1045.17 1032.98 28.58 o
-1 1 1 2735.51 3049.12 86.22 o
1 1 1 504.56 664.53 12.91 o
3 1 1 1837.16 1544.77 29.97 o
5 1 1 508.55 466.67 10.70 o
7 1 1 1651.72 1278.30 56.63 o
-8 2 1 173.69 140.52 21.77 o
-6 2 1 151.05 190.34 16.81 o
-4 2 1 126.50 128.77 9.23 o
0 2 1 12.42 13.16 0.53 o
4 2 1 199.79 184.70 4.69 o
6 2 1 217.28 180.47 10.40 o
8 2 1 201.40 242.50 34.12 o
-1 3 1 5085.71 5599.14 109.43 o
3 3 1 2843.49 2538.74 50.77 o
5 3 1 6688.97 5564.83 110.72 o
7 3 1 3310.45 3037.37 113.78 o
0 4 1 19.10 26.32 2.40 o
2 4 1 99.88 108.56 3.44 o
4 4 1 201.70 201.14 5.94 o
6 4 1 187.06 191.27 9.14 o
-1 5 1 21349.80 23792.40 538.96 o
1 5 1 12570.80 13461.20 261.24 o
3 5 1 11583.30 10076.00 198.12 o
5 5 1 1650.56 1491.66 31.61 o
7 5 1 1633.57 1445.14 110.75 o
-2 6 1 15.85 37.13 4.28 o
0 6 1 2.61 6.11 2.82 o
2 6 1 115.63 123.60 4.78 o
4 6 1 146.10 157.44 8.48 o
6 6 1 190.53 168.72 12.59 o
3 7 1 627.04 598.26 16.32 o
5 7 1 733.15 618.47 20.28 o
3 1 2 209.05 171.54 6.03 o
5 1 2 178.53 158.85 9.83 o
-2 2 2 2955.05 3069.33 121.11 o
2 2 2 2312.31 2110.13 42.15 o
4 2 2 18658.70 16503.20 367.00 o
6 2 2 494.96 493.46 20.39 o
-1 3 2 90.49 83.65 2.41 o
1 3 2 185.93 181.88 4.33 o
3 3 2 205.70 196.45 6.27 o
5 3 2 159.44 116.08 7.36 o
7 3 2 135.45 88.35 23.55 o
-2 4 2 21256.80 25227.60 502.28 o
0 4 2 23692.90 27752.30 537.00 o
2 4 2 5973.23 5785.72 115.14 o
4 4 2 8688.57 7915.59 160.90 o
6 4 2 5323.77 4478.75 97.93 o
8 4 2 977.96 976.58 60.00 o
-1 5 2 75.52 81.30 3.18 o
1 5 2 143.39 170.13 4.51 o
3 5 2 188.36 202.08 10.52 o
5 5 2 144.85 103.39 7.75 o
7 5 2 124.91 90.23 23.55 o
-2 6 2 30629.90 34765.50 684.81 o
0 6 2 2592.05 2985.21 59.48 o
2 6 2 24481.10 21553.00 430.30 o
4 6 2 1009.96 874.13 19.99 o
6 6 2 9507.24 8449.47 184.82 o
8 6 2 231.36 382.55 45.18 o
-3 7 2 16.46 10.34 2.83 o
-1 7 2 42.65 41.83 3.38 o
1 7 2 138.04 159.79 5.52 o
3 7 2 129.95 133.47 5.71 o
5 7 2 152.27 148.51 14.35 o
7 7 2 98.71 103.86 21.23 o
-2 8 2 11.24 28.67 3.80 o
0 8 2 28880.20 32690.20 641.06 o
2 8 2 1743.67 1770.82 37.39 o
4 8 2 14997.20 13190.50 277.68 o
6 8 2 31.68 62.04 16.96 o
-1 9 2 62.30 62.98 5.75 o
3 9 2 136.44 146.63 8.87 o
5 9 2 98.06 109.03 35.30 o
2 10 2 16941.60 15034.10 343.98 o
-3 3 3 6853.75 7229.44 157.59 o
-1 3 3 15704.20 18268.90 436.93 o
1 3 3 2824.94 3266.71 65.09 o
3 3 3 3833.57 3521.90 73.52 o
5 3 3 1569.85 1529.26 39.51 o
0 4 3 45.88 54.52 2.99 o
2 4 3 182.23 186.10 6.57 o
4 4 3 194.95 162.14 8.07 o
6 4 3 218.57 155.09 19.01 o
-3 5 3 5187.86 6199.28 128.41 o
-1 5 3 2837.18 3486.19 69.29 o
1 5 3 11629.60 12964.40 255.97 o
3 5 3 5033.36 4967.51 99.14 o
5 5 3 4525.58 3867.80 82.76 o
7 5 3 1303.15 1140.13 61.82 o
0 6 3 61.56 66.26 3.95 o
2 6 3 118.18 125.01 6.08 o
4 6 3 205.01 171.54 10.80 o
6 6 3 183.99 168.72 16.27 o
-3 7 3 16.82 23.50 2.85 o
1 7 3 658.18 823.84 18.41 o
5 7 3 557.15 578.53 18.71 o
-4 8 3 23.43 45.59 6.63 o
0 8 3 42.53 28.67 4.26 o
2 8 3 111.29 134.88 7.91 o
4 8 3 156.48 175.30 11.26 o
6 8 3 184.96 177.65 19.07 o
-3 9 3 74.30 95.40 5.01 o
-1 9 3 960.30 1071.99 22.68 o
1 9 3 426.79 475.60 11.43 o
3 9 3 2227.91 2213.06 48.71 o
5 9 3 425.83 421.09 21.60 o
-4 10 3 22.30 35.25 9.42 o
0 10 3 21.36 26.32 5.66 o
2 10 3 113.23 120.78 8.28 o
4 10 3 113.15 120.31 13.80 o
6 10 3 178.30 107.62 24.05 o
-5 11 3 1190.96 1239.29 52.92 o
-3 11 3 2742.53 2943.85 65.74 o
-1 11 3 1518.77 1565.45 34.79 o
1 11 3 5740.40 6419.70 132.13 o
3 11 3 3377.46 3412.87 79.64 o
-1 5 4 218.35 215.24 7.65 o
3 5 4 263.34 234.04 10.74 o
-4 6 4 15477.40 15727.30 341.83 o
0 6 4 19571.10 21464.20 432.71 o
2 6 4 984.58 1052.72 24.56 o
4 6 4 10200.60 9791.21 321.95 o
-3 7 4 71.49 64.85 4.84 o
-1 7 4 208.27 235.92 7.45 o
1 7 4 221.91 234.04 9.88 o
3 7 4 253.66 227.93 10.26 o
5 7 4 192.09 159.32 33.96 o
-2 8 4 30262.90 34629.70 678.52 o
0 8 4 2.12 12.69 5.17 o
2 8 4 14740.70 15888.50 321.02 o
4 8 4 611.92 676.75 20.51 o
6 8 4 7833.20 7612.93 207.43 o
-5 9 4 22.35 46.06 19.29 o
-3 9 4 98.97 100.10 5.48 o
-1 9 4 114.64 120.78 6.93 o
1 9 4 235.62 270.23 9.37 o
3 9 4 183.49 181.88 12.65 o
5 9 4 203.76 191.27 24.68 o
-4 10 4 11929.00 13965.00 378.98 o
-2 10 4 811.18 868.96 19.35 o
0 10 4 13962.50 16233.90 328.09 o
2 10 4 485.02 584.16 18.00 o
4 10 4 9146.09 9175.09 195.82 o
6 10 4 166.40 193.62 34.02 o
-3 11 4 62.04 141.93 15.26 o
1 11 4 144.74 185.16 9.98 o
3 11 4 199.17 192.68 39.16 o
-4 12 4 4846.21 4976.91 151.79 o
-2 12 4 2291.38 2770.90 62.39 o
0 12 4 5342.94 6114.22 130.43 o
2 12 4 5399.49 6135.37 132.01 o
4 12 4 1054.83 1096.89 34.10 o
-1 13 4 113.96 144.75 20.84 o
1 13 4 119.98 134.88 15.70 o
3 13 4 155.49 190.80 25.61 o
-5 7 5 411.61 577.59 45.85 o
-3 7 5 832.20 1166.45 28.90 o
1 7 5 730.83 767.45 28.52 o
0 8 5 59.20 84.59 9.52 o
2 8 5 123.25 116.08 12.40 o
-3 9 5 481.96 579.93 18.34 o
1 9 5 422.54 483.59 15.03 o
3 9 5 461.10 475.60 19.40 o
-2 10 5 6.78 32.90 8.48 o
2 10 5 86.87 86.94 10.46 o
4 10 5 160.24 100.10 21.23 o
-5 11 5 3589.27 4080.22 130.51 o
-3 11 5 1202.90 1290.05 34.14 o
-1 11 5 2101.55 2298.12 48.23 o
1 11 5 1367.35 1418.82 33.56 o
3 11 5 3147.51 3205.15 71.23 o
5 11 5 2457.34 2546.73 96.33 o
-4 12 5 7.75 79.42 30.58 o
-2 12 5 16.51 31.02 9.89 o
0 12 5 27.28 36.19 10.83 o
2 12 5 102.13 122.66 12.88 o
-5 13 5 1131.40 1145.30 54.82 o
-3 13 5 4085.73 4618.80 131.12 o
-1 13 5 3379.07 3697.20 81.75 o
1 13 5 3668.97 3949.57 102.04 o
3 13 5 1230.21 1414.59 46.26 o
0 14 5 51.33 32.90 19.28 o
2 14 5 55.82 87.41 19.33 o
4 14 5 121.28 157.44 49.43 o
-3 15 5 464.13 469.96 44.06 o
-1 15 5 1509.12 1782.10 84.85 o
-4 10 6 347.78 207.25 34.04 o
0 10 6 402.57 421.09 31.03 o
-1 11 6 192.71 207.25 15.50 o
1 11 6 240.98 254.72 47.69 o
-2 12 6 4035.19 4434.10 113.22 o
0 12 6 1499.30 1795.26 70.02 o
2 12 6 3120.51 3418.98 116.48 o
-3 13 6 125.80 165.90 27.42 o
-1 13 6 156.83 159.79 15.31 o
1 13 6 221.88 184.70 45.71 o
3 13 6 193.45 216.18 42.01 o
0 14 6 6641.16 7578.15 179.05 o
-3 15 6 88.21 104.80 39.05 o
-1 15 6 167.09 195.98 22.84 o
-2 16 6 7315.28 7878.93 298.90 o
0 16 6 330.40 369.39 51.66 o
-3 15 7 378.12 375.03 55.87 o
-1 15 7 440.24 461.97 64.46 o