#------------------------------------------------------------------------------
#$Date: 2023-10-10 05:21:39 +0300 (Tue, 10 Oct 2023) $
#$Revision: 286867 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022905.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_2022905
_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                97.576(3)
_cell_angle_beta                 107.579(14)
_cell_angle_gamma                100.340(11)
_cell_length_a                   6.095(3)
_cell_length_b                   7.5590(2)
_cell_length_c                   6.7696(2)
_cell_volume                     286.68(14)
_cod_data_source_file            dk5106II_5.10GPasup7.hkl
_cod_data_source_block           II_5.10GPa
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 1508.14 1601.54 7.00 o
0 0 3 3204.18 3530.44 12.60 o
0 0 5 76.96 68.85 3.25 o
0 0 6 37.90 43.73 2.10 o
0 0 7 196.22 224.15 7.23 o
0 0 9 15.78 18.58 2.31 o
0 0 10 16.46 16.13 2.23 o
0 1 -10 82.51 74.16 4.14 o
0 1 -9 59.43 53.11 3.55 o
0 1 -8 6.07 8.02 1.45 o
0 1 -7 169.49 155.85 5.46 o
0 1 -6 2.07 4.03 0.92 o
0 1 -5 125.33 110.13 3.68 o
0 1 -4 141.87 141.25 2.53 o
0 1 -3 190.35 241.75 2.69 o
0 1 -2 1692.16 1666.09 5.15 o
0 1 1 374.07 302.71 2.95 o
0 1 2 157.02 162.68 2.73 o
0 1 3 162.64 146.90 4.36 o
0 1 4 3.95 3.88 0.62 o
0 1 5 1078.66 1154.21 14.52 o
0 1 6 81.81 88.08 3.21 o
0 1 7 117.61 130.07 6.06 o
0 1 8 407.48 427.83 11.40 o
0 1 9 6.49 8.31 1.86 o
0 2 -9 25.95 29.23 2.40 o
0 2 -8 176.82 190.05 5.75 o
0 2 -7 136.53 143.56 4.79 o
0 2 -6 146.39 147.34 4.39 o
0 2 -5 265.89 303.08 5.52 o
0 2 -4 158.46 152.41 3.16 o
0 2 -3 1948.83 2153.20 8.63 o
0 2 0 470.55 414.37 4.60 o
0 2 1 964.43 937.35 8.72 o
0 2 2 0.36 2.12 0.61 o
0 2 3 1650.61 1776.65 11.68 o
0 2 4 246.58 237.21 6.80 o
0 2 5 97.95 111.67 3.53 o
0 2 6 262.02 291.35 6.33 o
0 2 7 68.60 70.66 3.54 o
0 2 8 71.71 96.10 6.09 o
0 3 -9 10.78 12.16 1.41 o
0 3 -8 160.33 157.32 4.54 o
0 3 -5 271.47 268.87 4.15 o
0 3 -1 173.08 203.90 2.41 o
0 3 0 681.37 696.03 5.45 o
0 3 1 1012.69 1085.00 7.97 o
0 3 2 951.73 978.15 11.88 o
0 3 3 0.92 1.00 0.42 <
0 3 4 499.92 498.08 7.39 o
0 3 5 211.47 234.79 5.56 o
0 3 6 104.81 109.91 4.22 o
0 3 7 24.31 32.12 2.67 o
0 4 -8 92.70 69.79 2.49 o
0 4 -7 46.83 40.83 1.72 o
0 4 -6 0.64 0.76 0.26 <
0 4 -1 0.71 2.50 0.55 o
0 4 0 2040.79 2058.16 10.93 o
0 4 1 311.49 344.18 5.04 o
0 4 2 1.52 4.28 0.70 o
0 4 3 891.56 866.92 9.67 o
0 4 4 39.30 49.55 2.56 o
0 4 5 0.16 2.22 0.80 <
0 4 6 66.57 66.86 3.61 o
0 5 -2 5.97 6.31 0.78 o
0 5 -1 140.18 135.66 3.71 o
0 5 0 52.59 42.43 1.77 o
0 5 1 91.75 81.92 2.68 o
0 5 2 8.05 8.02 0.98 o
0 5 3 179.62 183.47 6.52 o
0 5 4 50.94 53.23 2.86 o
0 5 5 323.25 364.83 8.16 o
0 5 6 23.56 21.23 2.34 o
0 6 -3 41.14 46.34 1.96 o
0 6 -2 425.70 485.25 5.19 o
0 6 -1 27.16 32.33 1.52 o
0 6 0 171.94 163.86 3.76 o
0 6 1 64.12 63.83 2.57 o
0 6 2 17.19 21.18 2.43 o
0 6 3 41.70 37.86 2.36 o
0 6 4 99.40 110.86 4.41 o
0 6 5 0.06 1.38 1.26 <
0 7 -3 124.11 132.30 3.79 o
0 7 -2 773.44 824.68 7.56 o
0 7 -1 4.86 6.48 0.81 o
0 7 0 1179.86 1187.02 10.82 o
0 7 1 15.18 10.56 1.18 o
0 7 2 175.60 178.17 4.95 o
0 7 3 22.23 17.97 1.81 o
0 7 4 69.29 74.75 3.88 o
0 8 -3 3.86 4.36 0.92 o
0 8 -2 92.14 98.28 4.03 o
0 8 -1 21.21 18.97 1.41 o
0 8 0 20.17 21.64 1.65 o
0 8 1 63.49 64.29 2.96 o
0 8 2 5.89 8.09 1.25 o
0 8 3 109.23 122.11 4.78 o
0 9 -3 232.71 235.33 6.21 o
0 9 -2 6.78 2.97 0.88 o
0 9 -1 82.73 80.18 4.23 o
0 9 0 36.12 34.35 2.17 o
0 9 1 61.04 72.90 3.33 o
0 9 2 34.99 43.22 2.80 o
0 10 -3 59.78 67.77 3.62 o
0 10 -2 6.84 6.55 1.31 o
0 10 -1 72.59 64.49 3.81 o
0 10 0 192.89 187.46 6.87 o
0 11 -3 66.38 80.68 4.31 o
0 11 -2 79.30 87.58 4.48 o
0 11 -1 25.20 22.70 2.32 o
0 11 0 123.91 101.11 4.96 o
0 12 -2 37.93 45.76 3.39 o
0 12 -1 58.79 45.01 3.34 o
1 -12 1 0.57 2.08 0.74 <
1 -12 2 32.27 41.32 3.47 o
1 -11 0 171.93 171.52 5.00 o
1 -11 1 131.96 151.96 4.48 o
1 -11 2 118.99 146.22 4.08 o
1 -10 -1 34.92 42.14 2.62 o
1 -10 0 42.52 47.63 3.82 o
1 -10 1 22.97 22.44 1.72 o
1 -10 2 30.24 31.26 1.81 o
1 -10 3 8.02 11.78 1.30 o
1 -9 -2 3.03 2.43 0.81 <
1 -9 -1 379.96 416.09 7.83 o
1 -9 0 0.73 1.59 0.66 <
1 -9 1 29.08 31.59 2.82 o
1 -9 2 170.84 192.33 4.18 o
1 -9 3 93.48 100.08 3.44 o
1 -8 -3 178.95 206.16 5.98 o
1 -8 -2 73.04 74.48 3.42 o
1 -8 -1 142.63 146.39 4.33 o
1 -8 0 17.35 21.45 1.60 o
1 -8 1 156.60 144.61 3.71 o
1 -8 2 345.23 364.66 7.83 o
1 -8 3 18.90 21.48 1.56 o
1 -8 4 8.45 9.32 0.79 o
1 -7 -4 155.33 172.85 5.68 o
1 -7 -3 86.84 102.79 4.07 o
1 -7 -2 394.22 365.14 6.92 o
1 -7 -1 113.31 122.14 3.78 o
1 -7 0 762.28 805.59 9.15 o
1 -7 1 86.07 96.46 2.91 o
1 -7 2 270.77 263.07 4.32 o
1 -7 4 1.73 0.99 0.29 o
1 -6 -5 5.31 7.06 1.89 o
1 -6 -4 142.96 149.91 4.87 o
1 -6 -3 43.80 40.54 2.41 o
1 -6 -2 4.90 3.74 0.78 o
1 -6 -1 42.81 48.21 2.27 o
1 -6 0 350.76 368.45 5.76 o
1 -6 1 34.14 34.95 1.63 o
1 -6 2 65.78 71.02 2.76 o
1 -6 3 777.49 784.37 7.66 o
1 -5 -6 25.34 38.52 2.73 o
1 -5 -5 43.45 46.67 2.73 o
1 -5 -4 16.67 15.73 1.52 o
1 -5 -3 166.47 186.24 4.82 o
1 -5 -2 222.37 210.73 4.84 o
1 -5 -1 697.66 698.51 7.85 o
1 -5 0 136.24 137.52 3.19 o
1 -5 1 429.26 462.99 7.41 o
1 -5 2 593.07 598.57 7.27 o
1 -5 3 25.40 22.81 1.15 o
1 -5 6 44.79 35.51 1.27 o
1 -5 7 30.43 24.51 1.27 o
1 -4 -7 1.35 0.76 0.85 <
1 -4 -6 23.88 25.96 2.09 o
1 -4 -5 443.86 407.99 7.31 o
1 -4 -4 102.22 89.44 3.31 o
1 -4 -3 509.79 521.13 7.47 o
1 -4 -2 462.35 416.50 6.15 o
1 -4 -1 869.87 877.61 8.07 o
1 -4 0 1475.52 1588.54 9.72 o
1 -4 2 2510.46 2974.98 15.55 o
1 -4 6 667.99 569.05 6.64 o
1 -4 7 74.94 64.36 2.44 o
1 -4 8 10.83 8.91 1.06 o
1 -3 -8 44.49 53.95 3.07 o
1 -3 -7 18.97 15.05 2.42 o
1 -3 -6 96.82 92.10 3.60 o
1 -3 -5 211.73 172.70 4.48 o
1 -3 -4 58.95 63.40 2.59 o
1 -3 -3 166.74 187.04 4.14 o
1 -3 -2 5.97 2.39 0.70 o
1 -3 -1 13.19 5.94 0.63 o
1 -3 0 700.80 594.84 5.11 o
1 -3 7 110.47 86.90 3.32 o
1 -3 8 165.47 137.65 4.41 o
1 -2 -9 1.00 1.10 1.03 <
1 -2 -8 146.64 154.89 4.81 o
1 -2 -7 2.54 3.23 0.82 o
1 -2 -6 2.88 4.89 0.92 o
1 -2 -5 473.31 457.68 6.96 o
1 -2 -4 15.47 17.79 1.33 o
1 -2 -3 1786.72 2034.72 12.25 o
1 -2 -2 504.08 649.89 8.95 o
1 -2 -1 2108.51 1948.72 9.49 o
1 -2 7 50.10 53.85 3.12 o
1 -1 -10 76.69 68.72 4.84 o
1 -1 -9 44.79 49.49 4.03 o
1 -1 -8 70.17 66.83 2.94 o
1 -1 -7 19.89 21.94 1.68 o
1 -1 -6 167.05 173.08 4.17 o
1 -1 -5 312.67 350.49 7.92 o
1 -1 -4 344.87 341.93 5.09 o
1 -1 -3 1152.80 1209.85 12.24 o
1 -1 -2 769.57 722.00 5.68 o
1 0 -10 32.93 31.39 3.09 o
1 0 -9 20.37 30.63 2.06 o
1 0 -7 6.53 4.47 0.80 o
1 0 -6 213.82 220.59 4.31 o
1 0 -5 694.48 705.59 10.54 o
1 0 -4 217.63 180.19 3.29 o
1 0 -3 375.72 519.74 4.92 o
1 1 -10 0.15 0.21 0.64 <
1 1 -9 478.95 563.25 11.07 o
1 1 -8 163.02 174.75 6.14 o
1 1 -7 142.72 126.22 3.25 o
1 1 -6 1367.87 1377.82 14.66 o
1 1 -5 14.19 13.17 0.93 o
1 1 -4 10.27 9.32 0.68 o
1 1 -3 1116.78 1145.31 8.42 o
1 2 -9 0.49 0.26 0.58 <
1 2 -8 398.34 394.50 5.37 o
1 2 -7 13.61 15.93 1.58 o
1 2 -6 7.43 6.12 0.62 o
1 2 -5 328.64 337.55 5.31 o
1 2 -4 692.19 734.95 6.89 o
1 3 -6 9.84 8.82 0.68 o
1 3 -5 532.39 484.68 4.55 o
1 5 -4 5.16 3.66 0.36 o
1 5 -2 65.61 53.93 1.91 o
1 5 -1 137.32 100.11 3.06 o
1 5 0 75.61 79.97 3.17 o
1 6 -4 978.03 1025.19 7.83 o
1 6 -3 24.91 20.42 1.27 o
1 6 -2 334.14 263.26 5.02 o
1 6 0 3.93 3.86 0.87 o
1 6 1 207.20 165.30 5.80 o
1 7 -4 1.64 0.86 0.40 <
1 7 -3 1.32 2.53 0.58 o
1 7 -2 108.01 83.87 3.11 o
1 7 -1 43.56 21.12 1.73 o
1 7 0 183.81 142.12 4.93 o
1 7 1 18.38 17.98 2.03 o
1 8 -4 24.02 20.68 1.55 o
1 8 -3 5.56 3.61 0.77 o
1 8 -2 103.21 67.72 2.97 o
1 8 -1 18.98 10.92 1.30 o
1 8 0 13.69 13.74 1.61 o
1 9 -4 80.85 89.99 3.45 o
1 9 -3 100.50 92.39 3.67 o
1 9 -2 68.05 54.52 2.91 o
1 9 -1 56.00 35.18 2.40 o
1 9 0 0.20 0.30 0.46 <
1 10 -4 13.69 11.06 1.42 o
1 10 -3 18.40 16.38 1.61 o
1 10 -2 88.36 67.79 3.32 o
1 10 -1 90.65 51.32 3.03 o
1 11 -3 7.56 2.95 0.85 o
1 11 -2 40.30 27.59 2.17 o
2 -12 1 55.43 56.10 3.70 o
2 -11 0 8.18 9.19 1.28 o
2 -11 1 73.85 76.34 4.08 o
2 -11 2 195.09 181.87 5.68 o
2 -10 -1 50.16 46.96 2.81 o
2 -10 0 105.86 123.61 6.11 o
2 -10 1 11.76 11.41 1.70 o
2 -10 2 252.48 253.32 6.82 o
2 -10 3 62.81 60.59 2.92 o
2 -9 -2 0.22 3.29 0.99 o
2 -9 -1 192.22 208.90 5.68 o
2 -9 0 12.70 12.74 1.38 o
2 -9 2 141.63 149.37 5.02 o
2 -9 3 0.36 2.82 0.72 o
2 -9 4 4.98 8.74 0.99 o
2 -8 -3 287.12 309.83 7.48 o
2 -8 -2 5.67 9.87 1.38 o
2 -8 -1 54.86 60.95 2.95 o
2 -8 0 333.72 316.85 6.07 o
2 -8 1 0.15 0.66 0.63 <
2 -8 3 23.63 21.45 1.69 o
2 -8 4 54.54 49.70 2.16 o
2 -8 5 30.60 30.18 1.34 o
2 -7 -4 156.57 178.77 5.69 o
2 -7 -3 75.98 69.79 3.40 o
2 -7 -2 137.31 139.89 4.46 o
2 -7 -1 0.07 0.38 0.53 <
2 -7 0 1.32 1.55 0.58 <
2 -7 1 5.38 5.70 1.15 o
2 -7 2 105.24 121.55 4.16 o
2 -7 3 39.56 38.23 2.15 o
2 -6 -5 17.17 20.43 2.02 o
2 -6 -4 0.22 0.06 0.87 <
2 -6 -3 450.20 462.72 8.08 o
2 -6 -2 15.31 16.56 1.52 o
2 -6 -1 161.40 174.25 4.39 o
2 -6 0 247.58 229.98 6.53 o
2 -6 1 425.54 494.25 9.07 o
2 -5 -6 329.65 341.65 7.73 o
2 -5 -5 47.15 54.50 2.99 o
2 -5 -4 163.79 175.41 5.01 o
2 -5 -3 1456.04 1333.47 12.95 o
2 -5 -2 27.29 24.53 1.71 o
2 -5 -1 1633.49 1638.16 12.53 o
2 -4 -7 68.77 75.59 4.97 o
2 -4 -6 15.94 14.76 1.62 o
2 -4 -5 185.63 190.61 5.15 o
2 -4 -4 550.11 480.23 7.78 o
2 -4 -3 141.56 144.05 5.58 o
2 -4 -2 14.27 18.77 1.36 o
2 -4 -1 137.53 137.86 4.85 o
2 -3 -8 108.50 96.20 4.02 o
2 -3 -7 284.57 286.10 9.67 o
2 -3 -6 453.82 456.86 8.00 o
2 -3 -5 125.11 134.30 4.08 o
2 -3 -4 134.15 118.98 3.65 o
2 -3 -3 124.97 131.93 5.05 o
2 -3 -2 416.67 373.75 7.50 o
2 -2 -9 80.71 105.26 4.25 o
2 -2 -8 7.56 10.34 1.34 o
2 -2 -7 15.29 13.74 1.49 o
2 -2 -6 253.18 254.76 5.58 o
2 -2 -5 211.13 217.66 4.92 o
2 -2 -4 0.42 0.16 0.44 <
2 -1 -10 68.83 80.31 3.60 o
2 -1 -9 42.05 49.22 2.79 o
2 -1 -8 30.99 34.49 2.24 o
2 -1 -7 2.65 2.85 0.76 o
2 -1 -6 172.82 168.79 4.27 o
2 -1 -5 0.65 0.72 0.54 <
2 -1 -4 449.82 422.70 7.53 o
2 0 -11 20.03 34.61 3.30 o
2 0 -10 44.70 46.99 2.53 o
2 0 -9 28.10 29.29 1.99 o
2 0 -8 11.75 9.33 1.12 o
2 0 -7 29.60 28.63 1.77 o
2 0 -6 165.93 142.57 3.61 o
2 1 -10 3.82 4.17 0.79 o
2 1 -9 0.30 0.53 0.66 <
2 1 -7 21.39 30.47 2.30 o
2 1 -6 213.81 251.72 6.30 o
2 2 -10 82.09 81.49 3.68 o
2 2 -9 12.05 19.69 1.83 o
2 2 -8 120.14 119.70 4.15 o
2 2 -7 3.31 6.15 1.02 o
2 2 -6 643.38 652.70 9.02 o
2 3 -9 0.32 0.86 0.43 <
2 3 -8 0.01 0.20 0.35 <
2 3 -7 88.28 93.37 3.14 o
2 3 -6 242.62 207.53 4.43 o
2 4 -8 109.83 90.87 2.37 o
2 4 -7 294.37 279.06 4.48 o
2 5 -7 13.28 7.71 0.41 o
2 5 -6 15.43 13.86 0.86 o
2 8 -6 102.11 85.77 2.19 o
2 8 -5 92.17 64.96 2.07 o
3 -12 1 0.40 0.17 0.59 <
3 -11 0 60.20 80.64 4.96 o
3 -11 1 10.17 11.40 1.75 o
3 -10 -1 94.79 93.50 5.67 o
3 -10 0 109.29 120.85 5.89 o
3 -10 1 18.90 24.84 2.49 o
3 -9 -2 10.90 17.90 1.94 o
3 -9 -1 195.30 244.29 9.21 o
3 -9 0 21.54 31.77 3.23 o
3 -8 -4 28.75 29.72 2.51 o
3 -8 -3 1.53 5.83 1.18 o
3 -8 -2 1.54 4.04 1.45 <
3 -8 -1 72.16 94.05 5.68 o
3 -7 -5 7.56 6.10 1.29 o
3 -7 -4 210.28 212.70 6.14 o
3 -7 -3 140.88 150.20 5.09 o
3 -7 -2 86.63 102.60 5.90 o
3 -6 -5 7.96 8.65 1.36 o
3 -6 -4 87.63 92.73 3.96 o
3 -6 -3 92.57 82.38 3.59 o
3 -5 -6 132.18 131.24 4.78 o
3 -5 -5 82.64 68.03 3.30 o
3 -5 -4 63.03 52.77 2.80 o
3 -4 -7 121.89 114.15 6.05 o
3 -4 -6 18.56 14.20 1.56 o
3 -4 -5 2.54 3.73 0.85 o
3 -4 -4 427.70 418.05 9.67 o
3 -3 -8 2.00 1.37 1.03 <
3 -3 -7 51.25 52.24 4.22 o
3 -3 -6 283.45 290.10 6.44 o
3 -3 -5 25.34 22.72 2.31 o
3 -2 -9 0.66 0.18 0.81 <
3 -2 -8 262.68 278.95 6.63 o
3 -2 -7 6.07 9.14 1.26 o
3 -2 -6 420.58 378.52 9.46 o
3 -1 -10 47.44 58.82 4.24 o
3 -1 -9 59.00 74.62 4.78 o
3 -1 -8 416.14 432.08 10.62 o
3 -1 -7 18.23 19.02 2.30 o
3 -1 -6 14.67 16.44 1.90 o
3 0 -11 90.70 112.13 5.90 o
3 0 -10 230.25 276.16 8.62 o
3 0 -9 212.40 223.66 7.82 o
3 0 -8 39.89 34.97 2.96 o
3 0 -7 369.05 353.30 8.87 o
3 1 -10 8.84 12.66 1.85 o
3 1 -9 1.09 2.07 0.92 <
3 1 -8 3.63 2.79 0.95 <
3 1 -7 132.16 125.02 4.92 o
3 2 -10 11.97 12.67 1.67 o
3 2 -9 17.39 26.95 2.39 o
3 2 -8 215.93 242.49 6.95 o
3 3 -9 42.07 43.91 2.74 o
3 3 -8 148.72 186.82 5.69 o
3 4 -9 18.14 13.28 1.37 o
3 4 -8 13.60 11.86 1.34 o