#------------------------------------------------------------------------------
#$Date: 2021-05-26 08:02:04 +0300 (Wed, 26 May 2021) $
#$Revision: 265498 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108817.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_2108817
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.9793
_cell_length_b                   13.3340
_cell_length_c                   31.8840
_exptl_crystal_F_000             1024.00
_reflns_d_resolution_high        0.8290
_cod_data_source_file            eb506810hUV_075GPasup14.hkl
_cod_data_source_block           10hUV_075GPa
_shelx_title                     ' 10hUV_0.75GPa.res in P2(1)2(1)2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            154.16
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, 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 0 236.61 238.44 13.27 o
4 0 0 748.05 839.75 109.70 o
6 0 0 28.14 42.07 94.47 o
1 1 0 474.39 435.03 13.54 o
2 1 0 1594.50 1417.45 22.92 o
3 1 0 1594.23 1518.71 28.10 o
4 1 0 15.16 -5.75 14.63 o
5 1 0 326.75 305.93 71.01 o
6 1 0 34.98 69.60 59.01 o
7 1 0 49.15 89.73 111.47 o
2 2 0 357.63 396.58 15.96 o
3 2 0 5956.91 6218.30 97.72 o
4 2 0 238.99 289.38 13.76 o
5 2 0 0.37 9.72 36.25 o
6 2 0 59.44 -54.16 54.16 o
7 2 0 2.30 61.38 73.85 o
2 3 0 158.85 164.89 20.46 o
3 3 0 46.60 30.00 10.75 o
4 3 0 18.52 9.46 5.31 o
5 3 0 22.67 31.15 18.33 o
6 3 0 7.74 -27.73 27.73 o
7 3 0 17.22 -40.66 69.51 o
3 4 0 1359.40 1362.10 50.60 o
4 4 0 6.08 1.97 11.32 o
5 4 0 3.66 -21.37 21.37 o
6 4 0 11.09 28.90 34.04 o
4 5 0 325.52 338.64 28.98 o
5 5 0 40.67 44.94 19.53 o
6 5 0 3.72 -34.07 85.25 o
1 0 1 1362.76 1370.10 20.01 o
2 0 1 1.96 -1.42 2.75 o
3 0 1 235.89 252.37 13.17 o
4 0 1 2617.19 3001.70 111.86 o
5 0 1 6.52 -36.09 36.09 o
6 0 1 1.56 -67.56 67.56 o
7 0 1 16.43 -82.55 101.02 o
-7 1 1 6.73 0.68 97.82 o
-6 1 1 24.95 -43.71 43.71 o
-5 1 1 208.50 275.04 49.18 o
-4 1 1 30.18 18.58 16.14 o
-3 1 1 133.28 155.19 13.17 o
-2 1 1 1075.63 1074.52 18.34 o
-1 1 1 12288.80 11855.56 241.57 o
0 1 1 343.93 307.59 23.26 o
1 1 1 12293.40 11536.41 256.74 o
2 1 1 1076.36 1049.33 23.40 o
3 1 1 133.69 130.55 10.55 o
4 1 1 30.11 27.67 11.77 o
5 1 1 208.54 249.68 44.66 o
6 1 1 24.94 96.25 77.52 o
7 1 1 6.72 -43.84 112.89 o
-7 2 1 8.45 -51.84 77.99 o
-6 2 1 46.56 0.19 70.78 o
-5 2 1 2.40 -0.03 20.34 o
-4 2 1 90.47 73.78 14.67 o
-3 2 1 99.13 103.88 9.32 o
-2 2 1 303.68 308.36 15.99 o
1 2 1 3759.07 3293.10 167.11 o
2 2 1 303.65 323.70 17.13 o
3 2 1 99.15 93.72 8.27 o
4 2 1 90.64 77.89 10.61 o
5 2 1 2.38 -8.47 20.09 o
6 2 1 46.49 45.72 56.35 o
7 2 1 8.51 817.03 438.95 o
-7 3 1 25.00 -13.54 104.22 o
-6 3 1 46.97 52.46 49.33 o
-5 3 1 29.93 -0.83 19.22 o
-4 3 1 176.40 180.14 11.45 o
-3 3 1 648.43 676.31 20.41 o
-2 3 1 5601.25 5882.24 194.73 o
2 3 1 5600.57 5838.67 178.21 o
3 3 1 648.59 718.94 25.78 o
4 3 1 176.58 164.10 13.71 o
5 3 1 29.96 -0.51 13.89 o
6 3 1 46.96 110.33 34.25 o
7 3 1 25.01 11.16 79.70 o
-6 4 1 21.43 15.26 33.04 o
-5 4 1 68.24 68.16 16.87 o
-4 4 1 112.93 102.42 10.60 o
-3 4 1 79.36 60.14 16.78 o
-2 4 1 137.13 113.15 19.57 o
2 4 1 136.96 121.53 15.76 o
3 4 1 79.15 65.46 13.61 o
4 4 1 113.13 122.62 15.50 o
5 4 1 68.26 74.08 20.68 o
6 4 1 21.35 2.48 43.80 o
-6 5 1 4.85 -17.17 127.75 o
-5 5 1 66.29 52.72 20.76 o
-4 5 1 53.89 31.33 33.59 o
-3 5 1 1094.70 1018.27 168.48 o
3 5 1 1093.21 1142.33 81.37 o
4 5 1 53.90 76.30 33.35 o
5 5 1 66.26 97.31 38.35 o
6 5 1 4.85 142.34 82.71 o
1 0 2 6845.19 6100.19 112.66 o
2 0 2 969.04 919.10 15.94 o
3 0 2 573.14 609.41 23.99 o
4 0 2 389.70 358.09 24.89 o
5 0 2 51.32 63.52 43.61 o
6 0 2 0.00 39.86 49.30 o
7 0 2 45.17 98.88 122.17 o
-6 1 2 3.86 28.26 47.84 o
-4 1 2 370.75 420.57 23.37 o
-3 1 2 69.62 59.95 8.73 o
-2 1 2 1467.53 1474.23 27.65 o
-1 1 2 2971.84 3013.53 56.95 o
0 1 2 251.11 260.68 6.59 o
1 1 2 2970.31 2830.03 62.41 o
2 1 2 1465.64 1424.27 29.54 o
3 1 2 69.43 64.25 11.41 o
4 1 2 370.56 377.96 22.06 o
5 1 2 152.23 130.04 41.04 o
6 1 2 3.84 -116.68 116.68 o
7 1 2 17.26 105.76 114.55 o
-7 2 2 3.44 -5.54 67.18 o
-6 2 2 20.28 496.16 213.27 o
-5 2 2 293.84 294.96 36.88 o
-4 2 2 376.43 436.69 25.43 o
-3 2 2 282.90 308.28 15.36 o
-2 2 2 1684.43 1768.87 38.77 o
-1 2 2 848.84 865.89 32.81 o
0 2 2 9548.45 9670.06 676.89 o
1 2 2 850.02 885.91 34.92 o
2 2 2 1684.72 1688.58 41.80 o
3 2 2 283.70 235.02 22.18 o
4 2 2 375.91 364.88 25.81 o
5 2 2 293.63 294.27 37.78 o
6 2 2 20.23 51.53 60.85 o
7 2 2 3.45 -117.59 117.59 o
-7 3 2 11.89 -65.49 65.49 o
-6 3 2 57.46 84.49 72.16 o
-5 3 2 158.29 170.23 22.52 o
-4 3 2 458.42 506.12 29.26 o
-3 3 2 148.86 153.14 10.06 o
-2 3 2 2225.52 2203.85 90.58 o
1 3 2 2229.96 1970.43 144.15 o
2 3 2 2226.32 2333.46 78.50 o
3 3 2 148.43 152.41 10.70 o
4 3 2 458.55 462.52 22.54 o
5 3 2 158.41 136.30 13.38 o
6 3 2 57.60 9.89 32.13 o
7 3 2 11.84 114.83 79.00 o
-6 4 2 28.60 -32.90 32.90 o
-5 4 2 10.73 -8.53 19.50 o
-4 4 2 34.71 37.30 20.13 o
-3 4 2 996.54 968.07 49.14 o
-2 4 2 1339.77 1353.31 63.80 o
2 4 2 1340.02 1494.95 57.03 o
3 4 2 995.22 1121.27 41.17 o
4 4 2 34.70 31.80 14.77 o
5 4 2 10.73 24.44 11.77 o
6 4 2 28.64 -15.52 49.36 o
-6 5 2 42.81 54.90 59.81 o
-5 5 2 128.50 91.09 31.37 o
-4 5 2 258.24 267.26 26.68 o
-3 5 2 838.69 757.25 71.52 o
3 5 2 839.50 775.93 43.52 o
4 5 2 257.89 275.22 27.44 o
5 5 2 128.38 160.98 34.79 o
6 5 2 42.81 27.60 37.36 o
-5 6 2 96.06 69.90 52.43 o
-4 6 2 70.46 54.53 48.06 o
4 6 2 70.42 108.37 49.47 o
5 6 2 96.15 43.36 40.96 o
1 0 3 11264.32 10978.43 294.37 o
2 0 3 623.00 640.85 12.97 o
3 0 3 1155.96 1324.66 24.10 o
4 0 3 16.63 23.29 13.49 o
5 0 3 85.08 66.95 41.80 o
6 0 3 0.70 -8.59 60.31 o
7 0 3 16.03 84.37 119.98 o
-7 1 3 5.53 46.63 101.66 o
-6 1 3 123.20 50.73 50.35 o
-5 1 3 187.63 207.92 49.78 o
-4 1 3 58.95 61.34 14.32 o
-3 1 3 764.42 839.12 20.20 o
-2 1 3 2819.20 2604.18 51.35 o
-1 1 3 1392.88 1397.35 27.94 o
0 1 3 10976.62 10187.17 215.29 o
1 1 3 1392.03 1354.94 28.96 o
2 1 3 2820.63 2552.24 57.54 o
3 1 3 765.19 763.43 24.92 o
4 1 3 59.07 63.55 8.42 o
5 1 3 187.44 199.18 19.77 o
6 1 3 123.21 458.96 306.27 o
7 1 3 5.53 -29.78 106.30 o
-7 2 3 40.74 100.16 119.19 o
-6 2 3 19.65 63.26 72.56 o
-5 2 3 20.71 30.84 28.69 o
-4 2 3 99.68 113.80 12.88 o
-3 2 3 4.26 4.00 8.29 o
-2 2 3 534.16 575.33 18.60 o
-1 2 3 6725.23 6528.84 155.38 o
0 2 3 232.10 249.63 9.90 o
1 2 3 6724.52 6478.21 138.74 o
2 2 3 534.17 580.60 18.89 o
3 2 3 4.17 -6.47 9.45 o
4 2 3 99.81 108.08 14.76 o
5 2 3 20.69 27.04 23.77 o
6 2 3 19.64 16.93 62.50 o
7 2 3 40.73 31.84 111.54 o
-7 3 3 5.49 11.95 69.85 o
-6 3 3 11.91 -35.44 42.59 o
-5 3 3 30.37 33.00 25.57 o
-4 3 3 173.28 184.28 12.96 o
-3 3 3 840.00 943.05 30.25 o
-2 3 3 845.47 903.91 39.19 o
-1 3 3 6821.92 6440.42 423.01 o
0 3 3 12978.14 12687.08 888.67 o
1 3 3 6820.44 6932.71 246.80 o
2 3 3 845.97 982.78 33.19 o
3 3 3 839.34 920.35 33.95 o
4 3 3 173.07 141.59 14.72 o
5 3 3 30.46 26.56 13.72 o
6 3 3 11.97 39.00 48.41 o
7 3 3 5.48 -8.59 114.45 o
-6 4 3 6.87 1.88 96.07 o
-5 4 3 39.31 36.15 16.22 o
-4 4 3 28.38 27.62 27.21 o
-3 4 3 53.92 31.82 17.44 o
-2 4 3 1208.76 1200.67 57.86 o
-1 4 3 221.03 219.64 23.84 o
1 4 3 221.89 215.95 19.44 o
2 4 3 1210.72 1331.74 58.82 o
3 4 3 53.74 77.62 25.20 o
4 4 3 28.15 -23.16 23.16 o
5 4 3 39.34 49.30 19.35 o
6 4 3 6.85 444.46 311.93 o
-6 5 3 30.10 94.04 36.70 o
-5 5 3 16.86 -1.35 25.84 o
-4 5 3 30.99 17.87 21.14 o
-3 5 3 144.92 94.46 35.98 o
-2 5 3 1925.06 1794.70 192.17 o
2 5 3 1925.48 2136.22 87.34 o
3 5 3 144.94 110.79 27.89 o
4 5 3 30.99 15.77 23.32 o
5 5 3 16.86 41.87 41.59 o
6 5 3 30.10 56.40 67.38 o
-6 6 3 66.14 78.05 113.27 o
-5 6 3 99.35 44.43 36.33 o
-4 6 3 564.63 443.72 53.85 o
-3 6 3 31.34 29.63 53.19 o
3 6 3 31.32 45.14 20.15 o
4 6 3 564.18 604.75 41.77 o
5 6 3 99.48 166.62 55.82 o
6 6 3 66.10 -74.87 190.97 o
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2 0 4 23.85 23.66 5.79 o
3 0 4 59.92 57.17 6.46 o
4 0 4 22.46 18.32 11.06 o
5 0 4 208.97 179.52 52.72 o
6 0 4 13.28 -52.91 52.91 o
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1 1 4 1422.31 1324.44 28.93 o
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7 2 4 16.66 -143.51 293.10 o
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-6 3 4 7.49 -47.75 65.04 o
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-1 3 4 8676.20 8132.14 218.37 o
0 3 4 3998.52 3648.46 119.20 o
1 3 4 8673.85 8490.71 201.72 o
2 3 4 351.00 364.94 16.69 o
3 3 4 543.43 596.57 55.95 o
4 3 4 20.73 26.86 12.67 o
5 3 4 142.31 133.92 12.46 o
6 3 4 7.46 -55.98 55.98 o
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-6 4 4 1.59 2038.54 476.45 o
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-4 4 4 43.77 78.06 25.03 o
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-1 4 4 11.27 22.94 6.92 o
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1 4 4 11.31 14.63 9.25 o
2 4 4 387.60 384.86 31.26 o
3 4 4 491.05 478.36 23.55 o
4 4 4 43.64 52.29 26.48 o
5 4 4 36.68 39.58 33.69 o
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-3 5 4 174.73 181.23 25.02 o
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-1 5 4 693.93 627.48 47.04 o
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3 5 4 174.72 199.82 18.41 o
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4 6 4 598.43 666.94 35.95 o
5 6 4 157.45 138.33 38.95 o
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2 0 5 767.35 712.85 23.21 o
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6 0 5 19.72 -57.07 57.07 o
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1 1 5 5189.97 4973.15 126.91 o
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3 1 5 450.89 502.59 21.64 o
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5 1 5 13.79 25.28 21.09 o
6 1 5 97.75 44.98 61.62 o
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0 2 5 353.89 354.68 9.58 o
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4 3 5 25.77 15.11 28.56 o
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1 3 16 713.13 701.12 29.53 o
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