#------------------------------------------------------------------------------
#$Date: 2022-09-29 05:07:27 +0300 (Thu, 29 Sep 2022) $
#$Revision: 278264 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/06/2300693.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_2300693
_cell_angle_alpha                90
_cell_angle_beta                 104.508(3)
_cell_angle_gamma                90
_cell_length_a                   5.5300(4)
_cell_length_b                   11.9606(15)
_cell_length_c                   5.5350(6)
_exptl_crystal_F_000             456
_reflns_d_resolution_high        0.5455
_cod_data_source_file            iu5026sup2.hkl
_cod_data_source_block           Sc3CoC4_2K_3.3GPa
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            181.50
_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
2 0 0 38.77 93.21 12.85 o
1 1 0 11.25 10.81 1.72 o
3 1 0 58.31 49.98 9.59 o
5 1 0 89.66 123.26 10.89 o
4 2 0 1705.77 1612.22 70.33 o
6 2 0 14343.60 13514.70 546.29 o
5 3 0 77.24 86.79 18.45 o
6 4 0 2220.98 2658.77 123.77 o
5 5 0 73.02 49.31 31.11 o
-4 0 1 203.35 190.80 16.40 o
2 0 1 209.92 263.75 11.30 o
4 0 1 295.85 349.86 24.39 o
6 0 1 340.43 279.28 29.77 o
-5 1 1 3952.15 3428.41 154.95 o
3 1 1 1833.18 1978.29 79.48 o
5 1 1 566.50 588.29 24.97 o
-6 2 1 244.74 309.34 51.96 o
-4 2 1 204.93 145.21 15.90 o
0 2 1 14.86 15.20 2.41 o
2 2 1 195.61 302.59 15.60 o
4 2 1 295.20 319.81 15.19 o
6 2 1 344.64 330.95 25.64 o
-1 3 1 5013.39 4075.45 145.54 o
3 3 1 2966.12 2962.71 109.55 o
5 3 1 6868.94 7035.12 249.44 o
2 4 1 139.29 107.05 10.39 o
6 4 1 284.88 320.15 22.15 o
-1 5 1 21902.90 24076.80 973.96 o
1 5 1 12942.50 12393.20 442.49 o
3 5 1 11853.00 10749.60 396.11 o
5 5 1 1810.65 1900.96 85.21 o
0 6 1 4.22 27.69 17.92 o
2 6 1 155.34 139.13 17.47 o
6 6 1 289.27 405.25 43.55 o
3 7 1 709.27 703.45 52.76 o
5 7 1 785.49 742.62 65.98 o
3 1 2 266.85 250.92 19.65 o
5 1 2 199.11 207.35 29.80 o
2 2 2 2331.17 2609.47 97.29 o
4 2 2 19393.80 15800.30 833.33 o
6 2 2 506.89 683.86 51.88 o
-1 3 2 103.22 105.70 6.68 o
1 3 2 206.93 232.34 12.61 o
3 3 2 231.56 258.35 17.93 o
5 3 2 227.27 220.52 20.84 o
0 4 2 24116.60 26562.00 972.17 o
2 4 2 6218.22 6640.34 245.18 o
6 4 2 5812.54 5354.69 214.73 o
-1 5 2 88.97 77.67 9.78 o
1 5 2 157.36 148.25 13.07 o
5 5 2 195.12 159.06 28.83 o
7 5 2 162.17 123.94 19.33 o
-2 6 2 31203.50 31228.50 1258.81 o
0 6 2 2775.95 2493.97 94.43 o
2 6 2 24853.50 23885.00 875.24 o
4 6 2 1097.85 1035.75 52.54 o
6 6 2 10197.20 11308.50 443.26 o
-1 7 2 43.22 31.74 11.53 o
1 7 2 163.80 135.76 19.41 o
3 7 2 167.86 153.32 20.53 o
5 7 2 175.24 216.47 28.56 o
0 8 2 29524.40 28806.40 1055.04 o
2 8 2 1816.04 1926.96 77.14 o
4 8 2 15985.20 17153.50 670.17 o
6 8 2 39.30 106.38 34.28 o
3 9 2 169.31 180.34 33.94 o
0 10 2 1097.37 603.15 64.15 o
4 2 3 330.47 203.98 50.75 o
1 3 3 2831.86 3385.85 128.34 o
3 3 3 3889.46 3463.86 133.17 o
5 3 3 1800.53 1669.63 101.03 o
0 4 3 73.05 72.27 8.43 o
2 4 3 227.30 212.08 15.75 o
4 4 3 268.23 256.99 70.40 o
6 4 3 374.74 293.47 68.54 o
-3 5 3 5377.78 4890.68 200.34 o
-1 5 3 3052.95 3408.48 126.73 o
1 5 3 12132.30 13093.60 480.83 o
3 5 3 5421.16 5237.50 195.44 o
5 5 3 4682.35 4348.32 178.43 o
0 6 3 70.43 72.27 12.71 o
2 6 3 170.74 151.97 16.61 o
4 6 3 285.52 232.68 21.61 o
6 6 3 301.83 240.79 38.61 o
-3 7 3 8.22 29.04 10.17 o
1 7 3 783.13 836.50 39.91 o
5 7 3 665.59 604.50 49.59 o
7 7 3 257.18 198.57 37.70 o
0 8 3 43.39 36.81 15.58 o
2 8 3 159.17 138.46 21.74 o
4 8 3 258.79 198.91 37.37 o
6 8 3 242.61 213.43 41.11 o
-3 9 3 102.12 120.22 12.12 o
-1 9 3 953.99 924.98 64.12 o
1 9 3 447.64 483.26 30.04 o
3 9 3 2215.74 2504.44 139.34 o
2 10 3 156.71 137.79 34.40 o
4 10 3 172.82 197.90 38.69 o
-3 11 3 2879.42 3235.24 136.47 o
-1 11 3 1630.69 1726.02 85.25 o
1 11 3 5960.04 7531.55 301.77 o
3 11 3 3600.11 4798.15 199.05 o
-3 5 4 118.18 103.68 58.18 o
-1 5 4 227.76 225.93 20.90 o
3 5 4 296.99 290.09 23.56 o
-4 6 4 16290.00 13167.50 579.30 o
0 6 4 20227.30 20143.90 778.60 o
2 6 4 1087.12 993.20 45.13 o
-3 7 4 80.02 56.73 20.35 o
1 7 4 240.20 285.02 32.08 o
3 7 4 319.49 300.90 31.59 o
5 7 4 252.56 209.72 32.13 o
-2 8 4 31791.60 32941.00 1229.89 o
2 8 4 15377.10 15913.10 621.85 o
4 8 4 654.86 706.48 51.89 o
6 8 4 8902.39 8805.04 543.05 o
-3 9 4 106.06 115.83 16.64 o
-1 9 4 145.38 169.19 25.58 o
1 9 4 245.72 249.57 34.06 o
3 9 4 243.67 267.13 42.75 o
-2 10 4 861.74 871.96 37.20 o
0 10 4 15048.60 17493.60 682.67 o
2 10 4 477.83 667.31 51.04 o
4 10 4 10248.00 10265.30 407.34 o
6 10 4 165.70 312.38 51.98 o
-3 11 4 71.34 141.50 20.11 o
1 11 4 198.97 202.62 30.10 o
3 11 4 224.35 240.79 78.06 o
-2 12 4 2672.85 3299.40 140.01 o
2 12 4 6245.84 7486.64 301.81 o
4 12 4 1104.69 1583.51 110.78 o
-1 13 4 130.87 179.32 55.01 o
1 13 4 157.33 147.92 61.98 o
0 14 4 768.46 446.11 78.67 o
-3 7 5 877.15 994.89 51.98 o
1 7 5 848.07 999.61 68.83 o
0 8 5 79.32 114.48 23.93 o
2 8 5 147.94 127.65 30.00 o
-3 9 5 416.49 518.72 39.83 o
1 9 5 424.68 420.11 39.23 o
3 9 5 549.26 460.30 44.44 o
-2 10 5 4.85 37.49 24.34 o
2 10 5 117.96 79.36 41.28 o
4 10 5 243.47 235.04 74.01 o
-3 11 5 1227.41 1188.73 61.43 o
-1 11 5 2222.27 2344.03 103.73 o
1 11 5 1567.83 1381.56 74.86 o
3 11 5 3360.34 3350.06 184.35 o
5 11 5 2861.57 2537.20 151.68 o
-2 12 5 11.61 48.97 24.70 o
2 12 5 164.83 158.72 81.89 o
4 12 5 151.82 205.33 46.74 o
-1 13 5 3817.28 4068.02 166.72 o
1 13 5 3905.27 4943.36 220.63 o
3 13 5 1418.62 1431.88 109.22 o
5 13 5 1052.27 664.95 75.39 o
0 14 5 56.93 109.08 35.97 o
-1 11 6 235.18 240.11 73.69 o
1 11 6 269.05 180.00 32.94 o
-2 12 6 4534.40 3756.66 192.87 o
2 12 6 3229.47 3171.41 182.14 o
-1 13 6 176.40 196.88 38.35 o
3 13 6 265.71 222.89 82.71 o
0 14 6 7278.65 8192.78 388.39 o
-1 15 6 214.89 229.98 50.20 o