#------------------------------------------------------------------------------
#$Date: 2023-10-10 05:21:39 +0300 (Tue, 10 Oct 2023) $
#$Revision: 286867 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022906.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_2022906
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.606(3)
_cell_angle_beta                 107.703(14)
_cell_angle_gamma                100.254(12)
_cell_length_a                   6.071(3)
_cell_length_b                   7.5224(2)
_cell_length_c                   6.7393(2)
_cell_volume                     282.75(14)
_cod_data_source_file            dk5106II_6.37GPasup8.hkl
_cod_data_source_block           II_6.37GPa
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-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
0 0 2 1481.37 1361.43 15.74 o
0 0 3 3149.13 3763.06 29.18 o
0 0 4 177.95 195.11 4.48 o
0 0 5 78.39 73.74 2.89 o
0 0 6 32.62 39.38 2.32 o
0 0 7 191.06 209.15 6.03 o
0 0 8 0.31 1.65 0.76 <
0 0 9 21.77 20.07 2.06 o
0 0 10 14.65 17.96 2.01 o
0 1 -10 88.96 98.39 4.45 o
0 1 -9 59.22 59.47 3.16 o
0 1 -8 5.44 8.69 1.24 o
0 1 -7 183.98 174.22 5.04 o
0 1 -6 0.82 2.00 0.57 o
0 1 -5 139.82 124.27 3.48 o
0 1 -4 151.93 157.85 3.59 o
0 1 -3 235.99 298.02 3.36 o
0 1 -2 1698.57 1593.22 17.27 o
0 1 1 360.02 327.85 3.52 o
0 1 2 163.79 190.02 2.83 o
0 1 4 2.05 2.33 0.42 o
0 1 5 1107.48 1197.17 17.31 o
0 1 6 85.63 82.30 3.65 o
0 1 7 112.57 112.99 4.68 o
0 1 8 442.52 448.19 10.64 o
0 1 9 7.45 7.41 1.47 o
0 2 -9 25.36 27.55 2.06 o
0 2 -8 175.88 162.18 4.69 o
0 2 -7 141.89 135.19 4.04 o
0 2 -6 151.31 127.05 3.51 o
0 2 -5 248.67 259.79 4.85 o
0 2 -4 146.60 142.18 2.85 o
0 2 -3 1930.60 2072.41 22.13 o
0 2 0 447.17 403.06 5.62 o
0 2 1 986.61 972.31 12.65 o
0 2 2 0.51 1.73 0.45 o
0 2 3 1701.56 1711.28 15.56 o
0 2 4 236.99 232.53 4.16 o
0 2 5 88.97 93.31 2.73 o
0 2 6 278.44 260.64 5.21 o
0 2 7 60.05 34.41 1.93 o
0 2 8 67.81 81.14 4.53 o
0 3 -9 13.67 14.28 1.31 o
0 3 -8 191.39 192.05 4.67 o
0 3 -5 289.53 251.72 4.09 o
0 3 -1 179.20 211.77 2.53 o
0 3 0 666.25 700.90 6.82 o
0 3 1 1056.97 1176.26 10.93 o
0 3 2 913.61 1011.66 14.52 o
0 3 3 0.94 1.20 0.39 o
0 3 4 500.08 509.41 7.16 o
0 3 5 205.04 197.84 4.42 o
0 3 6 99.27 107.23 3.47 o
0 3 7 24.24 23.34 2.49 o
0 4 -8 82.13 67.33 2.22 o
0 4 -7 41.32 36.62 1.44 o
0 4 -6 0.29 0.99 0.25 o
0 4 -1 2.68 3.58 0.50 o
0 4 0 2031.49 1982.06 16.80 o
0 4 1 333.48 347.92 4.91 o
0 4 2 2.12 4.48 0.58 o
0 4 3 938.40 896.40 10.38 o
0 4 4 49.41 50.64 2.17 o
0 4 5 1.94 4.29 0.77 o
0 4 6 70.73 62.95 2.83 o
0 5 -2 11.42 11.40 0.60 o
0 5 0 58.84 47.42 1.57 o
0 5 1 96.92 86.99 2.39 o
0 5 2 13.87 15.87 1.13 o
0 5 3 166.60 164.02 3.98 o
0 5 4 60.66 57.52 2.48 o
0 5 5 331.00 338.05 6.76 o
0 5 6 14.40 14.29 1.51 o
0 6 -3 40.90 41.10 1.53 o
0 6 -2 410.17 477.49 5.45 o
0 6 -1 32.96 41.13 1.47 o
0 6 0 175.80 176.44 3.55 o
0 6 1 64.86 66.85 2.30 o
0 6 2 20.94 24.91 2.09 o
0 6 3 40.31 33.56 1.90 o
0 6 4 111.09 122.46 3.90 o
0 6 5 0.05 1.01 0.81 <
0 7 -3 143.12 140.13 3.40 o
0 7 -2 754.93 845.58 8.89 o
0 7 -1 19.14 18.38 1.10 o
0 7 0 1208.80 1231.94 12.85 o
0 7 2 199.50 203.52 4.74 o
0 7 3 15.65 13.20 1.33 o
0 7 4 80.84 71.63 3.18 o
0 8 -3 2.97 2.20 0.55 o
0 8 -2 100.28 111.25 3.76 o
0 8 -1 18.81 19.79 1.23 o
0 8 0 19.36 22.43 2.09 o
0 8 1 70.08 63.32 2.56 o
0 8 2 7.60 8.42 1.09 o
0 8 3 111.04 132.66 4.35 o
0 9 -3 220.71 207.03 5.07 o
0 9 -2 1.65 1.08 0.58 <
0 9 -1 92.63 95.67 4.08 o
0 9 0 33.37 28.70 1.70 o
0 9 1 76.21 95.10 3.38 o
0 9 2 35.74 39.80 2.33 o
0 10 -3 58.19 59.57 2.71 o
0 10 -2 7.22 9.75 1.29 o
0 10 -1 75.37 86.35 4.15 o
0 10 0 181.14 202.09 6.89 o
0 11 -3 73.24 79.12 3.37 o
0 11 -2 77.81 79.13 3.66 o
0 11 -1 42.70 44.48 3.07 o
0 11 0 127.95 156.05 6.49 o
0 12 -1 57.02 57.48 3.56 o
1 -12 1 0.50 1.65 0.58 <
1 -11 0 169.80 169.29 4.41 o
1 -11 1 163.41 180.95 4.23 o
1 -11 2 102.99 120.59 3.15 o
1 -10 -1 37.49 46.12 2.32 o
1 -10 0 53.28 48.19 3.14 o
1 -10 1 26.31 22.66 1.41 o
1 -10 2 40.15 38.12 1.65 o
1 -10 3 5.69 10.98 1.10 o
1 -9 -2 0.72 0.78 0.53 <
1 -9 -1 389.48 415.12 7.17 o
1 -9 0 0.07 0.21 0.38 <
1 -9 1 23.26 22.49 1.92 o
1 -9 2 202.08 217.47 3.95 o
1 -9 3 78.87 92.80 2.97 o
1 -8 -3 202.29 245.21 5.97 o
1 -8 -2 85.02 88.30 3.21 o
1 -8 -1 152.76 164.47 4.12 o
1 -8 0 18.41 21.81 1.34 o
1 -8 1 161.48 145.94 3.17 o
1 -8 2 350.19 366.26 7.46 o
1 -8 3 15.46 15.84 1.11 o
1 -8 4 7.55 7.97 0.66 o
1 -7 -4 160.48 170.61 4.81 o
1 -7 -3 81.00 89.21 3.23 o
1 -7 -2 383.95 316.84 5.92 o
1 -7 -1 139.68 140.64 3.55 o
1 -7 0 743.87 738.03 8.84 o
1 -7 1 98.94 105.01 2.55 o
1 -7 2 244.01 230.00 3.65 o
1 -7 3 433.45 411.76 6.51 o
1 -7 4 1.47 0.54 0.22 <
1 -6 -5 3.33 4.34 1.29 o
1 -6 -4 153.55 158.85 4.36 o
1 -6 -3 40.57 39.61 1.97 o
1 -6 -2 6.59 4.50 0.71 o
1 -6 -1 49.53 51.39 1.98 o
1 -6 0 363.65 345.65 7.12 o
1 -6 1 39.53 40.03 1.43 o
1 -6 2 57.34 54.05 1.98 o
1 -6 3 791.47 728.90 9.40 o
1 -5 -6 30.40 38.47 2.25 o
1 -5 -5 37.37 40.97 2.18 o
1 -5 -4 20.44 18.92 1.39 o
1 -5 -3 183.95 184.45 4.18 o
1 -5 -2 217.79 196.83 4.04 o
1 -5 -1 741.04 735.84 8.53 o
1 -5 0 113.83 111.50 2.46 o
1 -5 2 646.55 631.33 8.86 o
1 -5 3 18.16 16.08 0.83 o
1 -5 6 43.57 29.14 0.97 o
1 -5 7 30.83 22.90 1.03 o
1 -4 -7 0.51 0.61 0.73 <
1 -4 -6 24.97 26.76 1.78 o
1 -4 -5 442.28 429.19 7.17 o
1 -4 -4 83.52 81.86 2.75 o
1 -4 -3 508.10 533.08 7.35 o
1 -4 -2 467.46 409.37 5.80 o
1 -4 -1 798.02 800.02 12.25 o
1 -4 0 1441.05 1653.90 14.50 o
1 -4 2 2438.38 2620.48 28.84 o
1 -4 7 90.73 73.16 2.31 o
1 -4 8 7.76 6.69 0.80 o
1 -3 -8 41.28 53.60 2.70 o
1 -3 -7 17.77 13.55 1.91 o
1 -3 -6 113.57 109.83 3.38 o
1 -3 -5 240.28 223.24 4.61 o
1 -3 -4 54.91 62.74 2.21 o
1 -3 -3 178.37 183.28 3.61 o
1 -3 -2 10.01 4.95 0.76 o
1 -3 -1 11.97 4.35 0.46 o
1 -3 0 757.44 769.52 7.50 o
1 -3 7 111.15 105.16 3.34 o
1 -3 8 185.25 162.64 4.45 o
1 -2 -9 1.66 2.27 1.05 <
1 -2 -8 148.68 163.46 4.40 o
1 -2 -7 1.97 1.36 0.58 <
1 -2 -6 1.99 4.80 0.75 o
1 -2 -5 460.33 466.65 6.70 o
1 -2 -4 10.57 12.89 0.92 o
1 -2 -1 2112.44 2237.14 18.21 o
1 -1 -10 86.78 80.01 4.40 o
1 -1 -9 47.88 51.89 3.39 o
1 -1 -8 86.35 75.22 2.69 o
1 -1 -7 27.75 29.33 1.62 o
1 -1 -6 181.81 185.40 3.94 o
1 -1 -5 340.48 350.71 7.31 o
1 -1 -3 1244.09 1235.49 11.43 o
1 -1 -2 778.50 829.89 7.95 o
1 0 -10 27.19 23.52 2.20 o
1 0 -9 17.52 24.98 1.54 o
1 0 -8 20.01 24.36 1.98 o
1 0 -7 5.51 5.14 0.67 o
1 0 -6 180.67 197.21 3.71 o
1 0 -5 685.47 641.57 10.48 o
1 0 -4 205.70 172.63 2.89 o
1 0 -2 2266.27 2274.57 25.35 o
1 1 -10 0.03 0.18 0.53 <
1 1 -8 147.30 135.42 4.46 o
1 1 -7 144.32 133.87 2.89 o
1 1 -6 1441.33 1384.90 18.22 o
1 1 -5 5.94 5.04 0.48 o
1 1 -4 11.92 9.61 0.56 o
1 1 -3 1144.10 1251.60 14.73 o
1 2 -9 0.01 0.04 0.43 <
1 2 -8 422.35 432.99 5.75 o
1 2 -7 17.12 16.85 1.35 o
1 2 -6 12.86 11.45 0.70 o
1 2 -5 309.74 312.18 3.80 o
1 2 -4 704.22 725.95 9.12 o
1 3 -7 1.46 2.23 0.42 o
1 3 -6 7.84 11.16 0.76 o
1 3 -5 527.53 501.50 6.42 o
1 5 -3 1492.06 1486.49 17.24 o
1 5 -2 90.12 78.91 2.51 o
1 6 -4 1000.43 916.26 10.99 o
1 6 -3 15.71 16.42 1.08 o
1 6 -2 396.84 398.87 7.21 o
1 6 -1 966.21 975.69 14.52 o
1 6 0 13.79 8.84 1.19 o
1 7 -4 4.65 2.44 0.44 o
1 7 -3 0.53 1.28 0.43 <
1 7 -2 109.25 120.83 3.80 o
1 7 -1 45.69 38.73 2.33 o
1 7 0 202.37 210.82 6.20 o
1 8 -4 25.13 20.89 1.25 o
1 8 -3 5.00 4.54 0.75 o
1 8 -2 117.57 98.50 3.65 o
1 8 -1 12.55 12.32 1.42 o
1 8 0 20.33 20.90 1.99 o
1 9 -4 94.55 93.08 3.02 o
1 9 -3 98.25 102.36 3.65 o
1 9 -2 89.24 89.71 3.74 o
1 9 -1 51.85 49.57 3.00 o
1 9 0 0.31 0.55 0.61 <
1 10 -4 17.82 14.79 1.25 o
1 10 -3 19.75 23.98 1.84 o
1 10 -2 80.07 94.95 4.13 o
1 10 -1 108.48 103.45 4.62 o
1 11 -3 3.22 2.60 0.77 o
1 11 -2 45.04 39.78 2.73 o
2 -12 1 55.86 64.33 3.46 o
2 -11 0 4.57 5.23 0.88 o
2 -11 1 84.10 88.62 3.95 o
2 -11 2 205.92 212.62 5.95 o
2 -10 -1 42.57 44.22 2.29 o
2 -10 0 122.18 134.44 3.77 o
2 -10 1 21.12 21.42 1.88 o
2 -10 2 242.54 254.40 6.24 o
2 -10 3 74.45 78.40 2.97 o
2 -9 -2 0.24 2.07 0.70 <
2 -9 -1 202.37 201.15 4.77 o
2 -9 0 17.45 18.99 1.37 o
2 -9 2 158.82 163.57 4.69 o
2 -9 3 0.30 1.57 0.49 o
2 -9 4 4.97 8.96 0.83 o
2 -8 -3 292.21 307.27 6.47 o
2 -8 -2 8.67 12.23 1.22 o
2 -8 -1 55.99 56.79 2.36 o
2 -8 0 332.01 336.18 5.70 o
2 -8 1 0.07 0.17 0.42 <
2 -8 2 62.42 61.85 2.67 o
2 -8 3 22.83 24.08 1.50 o
2 -8 4 55.15 49.58 1.88 o
2 -7 -4 178.16 197.16 5.12 o
2 -7 -3 79.96 67.53 2.76 o
2 -7 -2 142.50 149.45 3.87 o
2 -7 -1 0.10 1.02 0.66 <
2 -7 0 1.89 1.45 0.47 o
2 -7 1 6.90 6.44 0.99 o
2 -7 2 121.70 137.13 3.94 o
2 -6 -5 21.05 21.59 1.70 o
2 -6 -4 0.46 0.15 0.46 <
2 -6 -3 425.89 428.16 10.23 o
2 -6 -2 17.20 18.18 1.30 o
2 -6 -1 154.57 173.73 3.87 o
2 -6 0 260.91 240.40 6.02 o
2 -6 1 418.57 439.24 8.18 o
2 -5 -6 354.11 371.16 7.23 o
2 -5 -5 56.20 62.66 2.68 o
2 -5 -4 155.25 158.42 4.04 o
2 -5 -3 1540.92 1638.50 16.76 o
2 -5 -2 15.91 14.48 1.10 o
2 -5 -1 1715.77 1891.70 17.62 o
2 -4 -7 57.41 64.80 3.92 o
2 -4 -6 12.14 12.47 1.24 o
2 -4 -5 182.43 184.27 4.38 o
2 -4 -4 515.76 486.49 7.30 o
2 -4 -3 134.86 144.32 4.94 o
2 -4 -2 8.13 12.79 0.98 o
2 -4 -1 140.25 136.19 4.13 o
2 -3 -8 122.94 114.59 3.74 o
2 -3 -7 286.60 275.06 8.16 o
2 -3 -6 472.52 446.82 7.20 o
2 -3 -5 116.45 118.66 3.28 o
2 -3 -4 157.67 146.70 3.48 o
2 -3 -3 131.29 148.59 4.75 o
2 -3 -2 430.22 456.55 8.52 o
2 -2 -9 95.97 108.89 3.60 o
2 -2 -8 8.59 9.35 1.05 o
2 -2 -7 10.16 10.68 1.09 o
2 -2 -6 270.31 247.05 4.85 o
2 -2 -5 233.14 239.72 4.56 o
2 -2 -4 0.37 0.47 0.34 <
2 -2 -3 1286.44 1288.82 12.65 o
2 -1 -10 71.57 78.65 2.97 o
2 -1 -9 43.99 48.60 2.28 o
2 -1 -8 31.46 27.61 1.62 o
2 -1 -7 1.37 1.16 0.47 <
2 -1 -6 180.89 172.76 3.72 o
2 -1 -4 446.66 434.45 8.45 o
2 0 -11 22.02 32.15 2.57 o
2 0 -10 45.86 47.90 2.17 o
2 0 -9 34.22 32.04 1.72 o
2 0 -8 17.87 14.88 1.52 o
2 0 -7 24.70 26.71 1.43 o
2 0 -6 161.67 141.75 3.13 o
2 1 -10 1.09 2.72 0.57 o
2 1 -9 0.02 0.20 0.36 <
2 1 -8 188.75 177.84 5.46 o
2 1 -7 27.92 35.04 2.05 o
2 1 -6 221.57 243.07 5.48 o
2 2 -10 81.76 83.98 3.29 o
2 2 -9 9.36 12.76 1.22 o
2 2 -8 135.07 123.65 3.64 o
2 2 -7 6.42 7.43 0.87 o
2 2 -5 7.60 6.93 0.72 o
2 3 -9 1.87 2.52 0.55 o
2 3 -8 0.88 1.26 0.41 o
2 3 -7 88.59 84.03 2.56 o
2 3 -6 216.53 191.90 3.96 o
2 4 -8 97.72 82.65 2.22 o
2 4 -7 318.06 278.87 4.52 o
2 5 -6 16.69 13.94 0.64 o
2 8 -5 106.40 90.71 2.51 o
3 -12 1 0.81 1.80 0.75 <
3 -11 0 65.80 74.80 3.93 o
3 -11 1 8.14 8.89 1.34 o
3 -10 -1 111.23 103.70 4.84 o
3 -10 0 103.38 107.25 4.61 o
3 -10 1 21.23 26.33 2.14 o
3 -9 -2 7.22 8.34 1.12 o
3 -9 -1 197.35 204.65 6.72 o
3 -9 0 30.88 34.33 2.57 o
3 -8 -3 2.35 4.16 0.87 o
3 -8 -2 3.22 4.53 1.16 o
3 -8 -1 78.36 82.43 4.15 o
3 -7 -4 233.55 237.79 5.81 o
3 -7 -3 127.67 130.20 4.03 o
3 -7 -2 104.61 104.29 4.80 o
3 -6 -5 12.68 11.85 1.34 o
3 -6 -4 102.97 106.15 3.64 o
3 -6 -3 104.48 100.25 3.40 o
3 -5 -6 125.63 125.66 4.09 o
3 -5 -5 85.78 89.59 3.36 o
3 -5 -4 53.01 48.06 2.33 o
3 -4 -7 135.05 139.81 5.74 o
3 -4 -6 12.75 11.67 1.25 o
3 -4 -5 2.27 3.84 0.78 o
3 -4 -4 426.53 457.71 7.49 o
3 -3 -8 0.84 0.92 0.57 <
3 -3 -7 51.64 59.95 3.87 o
3 -3 -6 288.52 301.04 5.95 o
3 -3 -5 34.86 27.30 1.68 o
3 -2 -9 0.04 0.20 0.67 <
3 -2 -8 252.19 250.69 5.47 o
3 -2 -7 6.21 7.44 0.96 o
3 -2 -6 452.22 428.82 9.86 o
3 -1 -10 44.24 45.10 2.95 o
3 -1 -9 66.57 67.63 3.66 o
3 -1 -8 466.55 471.00 10.07 o
3 -1 -7 14.40 14.83 1.64 o
3 -1 -6 21.96 25.75 2.04 o
3 0 -11 86.90 87.82 4.11 o
3 0 -10 249.84 245.96 6.79 o
3 0 -9 209.44 200.30 5.96 o
3 0 -8 27.76 29.17 2.16 o
3 0 -7 368.23 361.05 8.22 o
3 1 -10 13.52 14.37 1.47 o
3 1 -9 0.18 1.45 0.59 <
3 1 -8 3.13 3.37 0.76 o
3 1 -7 136.81 129.13 4.21 o
3 2 -10 11.40 9.23 1.09 o
3 2 -9 16.28 20.35 1.57 o
3 2 -8 209.18 206.85 5.25 o
3 3 -9 46.04 41.48 2.01 o
3 3 -8 179.95 174.80 4.33 o
3 4 -9 18.52 16.27 1.11 o
3 4 -8 7.57 5.94 0.71 o