#------------------------------------------------------------------------------
#$Date: 2023-10-10 05:21:39 +0300 (Tue, 10 Oct 2023) $
#$Revision: 286867 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022907.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_2022907
_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                97.629(3)
_cell_angle_beta                 107.773(14)
_cell_angle_gamma                100.211(11)
_cell_length_a                   6.050(3)
_cell_length_b                   7.4908(2)
_cell_length_c                   6.7136(3)
_cell_volume                     279.42(14)
_cod_data_source_file            dk5106II_7.38GPasup9.hkl
_cod_data_source_block           II_7.38GPa
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 1438.01 1468.07 6.63 o
0 0 5 78.81 74.29 1.93 o
0 0 6 34.30 36.17 2.22 o
0 0 7 182.16 203.73 5.81 o
0 0 8 1.37 4.75 1.12 o
0 0 9 25.68 29.35 2.71 o
0 0 10 12.80 20.35 2.45 o
0 1 -9 58.61 59.71 3.32 o
0 1 -8 5.46 6.78 1.18 o
0 1 -7 193.50 186.21 4.98 o
0 1 -6 0.11 1.29 0.50 <
0 1 -5 147.14 137.54 3.50 o
0 1 -4 159.99 154.95 3.17 o
0 1 -3 283.05 354.71 2.88 o
0 1 -2 1691.36 1567.28 5.93 o
0 1 1 330.97 271.31 3.39 o
0 1 2 167.99 170.09 3.27 o
0 1 4 1.20 1.96 0.38 o
0 1 5 1146.14 1124.04 8.74 o
0 1 6 76.28 82.69 2.49 o
0 1 7 112.08 111.62 4.60 o
0 1 8 451.24 512.10 10.94 o
0 1 9 5.82 7.65 1.72 o
0 2 -9 23.15 20.69 1.79 o
0 2 -8 156.40 163.71 4.50 o
0 2 -7 128.57 135.34 3.77 o
0 2 -6 151.79 140.96 3.41 o
0 2 -5 240.32 229.67 3.82 o
0 2 -4 152.51 143.15 2.47 o
0 2 -3 1949.80 2070.18 10.24 o
0 2 0 429.81 426.96 3.15 o
0 2 1 995.25 955.69 8.27 o
0 2 2 0.35 1.51 0.41 o
0 2 3 1678.80 1793.58 10.75 o
0 2 4 242.47 243.77 3.93 o
0 2 5 72.57 74.73 2.32 o
0 2 6 292.22 277.27 7.03 o
0 2 8 60.07 80.42 4.53 o
0 3 -8 211.97 194.06 4.25 o
0 3 -5 292.56 281.03 3.51 o
0 3 -1 184.53 230.72 2.15 o
0 3 0 662.72 692.82 4.82 o
0 3 1 1094.03 1255.18 7.78 o
0 3 2 907.38 984.77 10.43 o
0 3 3 1.70 1.80 0.44 o
0 3 4 523.86 511.79 6.20 o
0 3 5 191.21 190.39 4.00 o
0 3 6 88.29 84.18 3.83 o
0 3 7 22.45 21.82 2.31 o
0 4 -8 71.45 78.94 2.74 o
0 4 -7 33.63 39.27 1.62 o
0 4 -6 0.24 0.76 0.22 o
0 4 -2 1.84 2.33 0.30 o
0 4 -1 4.42 5.83 0.61 o
0 4 0 2012.86 1963.71 10.09 o
0 4 1 343.04 350.77 4.27 o
0 4 2 2.43 5.43 0.64 o
0 4 3 938.04 948.39 8.70 o
0 4 4 48.87 51.91 2.12 o
0 4 5 4.22 6.53 0.87 o
0 4 6 76.23 63.06 2.61 o
0 5 -2 15.67 15.52 0.67 o
0 5 -1 142.32 132.81 3.10 o
0 5 0 67.64 57.29 1.67 o
0 5 1 101.59 91.01 2.38 o
0 5 2 22.22 23.31 1.34 o
0 5 3 153.95 162.59 3.82 o
0 5 4 57.82 63.98 2.57 o
0 5 5 346.76 344.35 6.19 o
0 5 6 8.55 7.03 1.50 o
0 6 -3 38.85 38.64 1.43 o
0 6 -2 416.66 478.01 4.41 o
0 6 -1 36.94 46.54 1.49 o
0 6 0 172.85 166.58 3.11 o
0 6 1 65.32 62.56 2.07 o
0 6 2 24.52 25.34 1.50 o
0 6 3 36.97 29.50 1.72 o
0 6 4 119.17 120.58 3.69 o
0 6 5 0.00 1.06 0.97 <
0 7 -3 157.88 172.25 3.60 o
0 7 -2 720.84 779.31 6.31 o
0 7 -1 28.65 32.55 1.38 o
0 7 0 1210.06 1203.62 9.42 o
0 7 1 2.08 0.65 0.39 <
0 7 2 193.71 197.14 4.36 o
0 7 3 11.57 9.22 1.13 o
0 7 4 76.36 72.13 3.16 o
0 8 -3 1.55 0.83 0.44 <
0 8 -2 101.64 114.84 3.56 o
0 8 -1 18.94 17.20 1.09 o
0 8 0 17.47 18.85 1.24 o
0 8 1 74.71 60.80 2.36 o
0 8 2 8.30 8.32 1.03 o
0 8 3 107.72 119.79 3.98 o
0 9 -3 214.45 216.88 4.89 o
0 9 -2 0.76 0.23 0.46 <
0 9 0 30.22 26.91 1.57 o
0 9 1 81.18 88.85 2.99 o
0 9 2 29.93 31.43 1.98 o
0 10 -3 56.55 57.81 2.63 o
0 10 -2 10.85 10.92 1.35 o
0 10 -1 80.32 76.44 3.73 o
0 10 0 168.18 156.71 5.56 o
0 10 1 335.64 315.14 8.67 o
0 11 -3 81.46 87.44 3.36 o
0 11 -2 68.43 68.28 3.37 o
0 11 -1 47.23 45.34 2.90 o
0 11 0 129.90 137.43 5.47 o
0 12 -1 58.22 49.15 3.18 o
1 -12 1 0.35 0.93 0.48 <
1 -11 0 161.03 159.95 4.05 o
1 -11 1 184.66 199.41 4.15 o
1 -11 2 89.84 102.29 2.71 o
1 -10 -1 42.22 46.31 2.28 o
1 -10 0 53.22 49.09 3.22 o
1 -10 1 28.64 25.54 1.46 o
1 -10 2 37.83 38.84 1.62 o
1 -10 3 5.47 10.79 1.05 o
1 -9 -2 0.13 0.45 0.50 <
1 -9 -1 385.00 394.35 6.24 o
1 -9 0 0.99 1.52 0.53 <
1 -9 1 19.21 22.92 1.95 o
1 -9 2 228.34 235.72 3.74 o
1 -9 3 68.45 79.96 2.58 o
1 -8 -3 214.01 251.66 5.58 o
1 -8 -2 90.34 90.88 3.09 o
1 -8 -1 153.70 154.35 3.66 o
1 -8 0 20.63 23.08 1.39 o
1 -8 1 173.32 163.18 3.30 o
1 -8 2 343.78 365.17 6.49 o
1 -8 3 11.51 13.07 0.98 o
1 -8 4 5.58 6.10 0.60 o
1 -7 -4 151.77 165.15 4.57 o
1 -7 -3 64.26 70.78 2.79 o
1 -7 -2 390.92 425.25 6.51 o
1 -7 -1 161.97 155.97 3.48 o
1 -7 0 710.50 711.63 7.12 o
1 -7 1 109.00 118.62 2.58 o
1 -7 2 216.65 190.51 2.87 o
1 -7 3 444.21 408.29 5.04 o
1 -7 4 0.65 0.11 0.18 <
1 -6 -5 1.98 1.90 0.97 <
1 -6 -4 159.29 167.77 4.36 o
1 -6 -3 39.67 36.26 1.94 o
1 -6 -2 6.62 4.71 0.73 o
1 -6 -1 47.42 48.89 1.85 o
1 -6 0 362.36 390.82 6.95 o
1 -6 1 43.27 46.85 1.52 o
1 -6 2 46.35 48.50 1.87 o
1 -6 3 811.68 783.41 6.88 o
1 -6 4 43.14 36.60 1.03 o
1 -5 -6 27.20 37.06 2.19 o
1 -5 -5 32.74 36.87 2.05 o
1 -5 -4 26.43 25.00 1.64 o
1 -5 -3 177.85 190.40 4.05 o
1 -5 -2 206.09 184.26 3.69 o
1 -5 -1 746.01 785.89 7.19 o
1 -5 0 96.86 98.42 2.26 o
1 -5 1 417.13 434.42 6.01 o
1 -5 2 687.96 747.64 7.33 o
1 -5 3 12.06 10.47 0.68 o
1 -5 6 41.33 33.35 1.03 o
1 -5 7 31.18 24.53 1.06 o
1 -4 -7 0.18 0.51 0.52 <
1 -4 -6 25.81 22.82 1.65 o
1 -4 -5 424.80 412.96 6.52 o
1 -4 -4 77.87 75.85 2.57 o
1 -4 -3 500.86 520.04 6.34 o
1 -4 -2 479.17 427.97 5.33 o
1 -4 -1 746.19 698.50 6.21 o
1 -4 0 1438.56 1669.26 9.48 o
1 -4 2 2356.72 2280.69 12.88 o
1 -4 6 647.02 695.96 7.09 o
1 -4 7 98.72 81.53 2.47 o
1 -4 8 5.39 5.28 0.73 o
1 -3 -8 38.39 46.36 2.42 o
1 -3 -7 12.02 9.04 1.56 o
1 -3 -6 124.79 123.19 3.45 o
1 -3 -5 268.81 250.71 4.71 o
1 -3 -4 52.37 57.10 2.07 o
1 -3 -3 172.77 202.28 3.66 o
1 -3 -2 16.59 8.51 1.01 o
1 -3 -1 11.72 4.00 0.45 o
1 -3 0 780.20 713.80 5.02 o
1 -3 7 124.22 140.82 4.18 o
1 -2 -9 4.43 4.39 1.11 o
1 -2 -8 150.08 151.14 4.02 o
1 -2 -7 0.91 0.88 0.49 <
1 -2 -6 2.36 3.57 0.63 o
1 -2 -5 447.57 450.00 5.80 o
1 -2 -4 5.79 8.22 0.76 o
1 -2 -3 1691.94 2105.47 11.88 o
1 -2 -2 602.97 709.52 8.07 o
1 -2 -1 2070.02 2041.96 9.71 o
1 -1 -9 49.09 54.07 3.44 o
1 -1 -8 87.35 79.70 2.62 o
1 -1 -7 31.48 33.84 1.69 o
1 -1 -6 178.84 188.65 3.67 o
1 -1 -5 367.43 374.25 6.59 o
1 -1 -4 327.15 337.64 4.32 o
1 -1 -3 1284.93 1254.99 7.85 o
1 -1 -2 776.53 828.33 5.72 o
1 0 -10 23.92 22.90 2.25 o
1 0 -9 12.26 20.28 1.34 o
1 0 -8 24.32 27.30 1.93 o
1 0 -7 6.18 5.99 0.68 o
1 0 -6 160.08 159.22 2.98 o
1 0 -5 669.89 619.15 7.89 o
1 0 -4 196.88 161.47 2.58 o
1 0 -3 333.29 492.86 4.24 o
1 0 -2 2235.59 1922.82 11.61 o
1 1 -10 0.00 0.58 0.58 <
1 1 -9 541.12 504.28 9.03 o
1 1 -8 135.54 126.01 4.19 o
1 1 -7 144.24 132.18 2.69 o
1 1 -6 1482.80 1426.73 8.90 o
1 1 -5 1.99 1.71 0.31 o
1 1 -4 11.38 8.91 0.55 o
1 1 -3 1139.53 1227.06 8.52 o
1 2 -9 1.08 1.77 0.67 <
1 2 -7 16.90 17.69 0.91 o
1 2 -6 16.01 15.64 0.77 o
1 2 -5 290.02 278.62 2.83 o
1 2 -4 700.26 698.84 5.89 o
1 3 -6 6.39 8.99 0.60 o
1 3 -5 514.45 526.25 4.42 o
1 5 -4 8.24 6.58 0.39 o
1 5 -3 1480.01 1307.62 8.74 o
1 5 -2 96.30 90.08 2.49 o
1 6 -3 11.61 11.35 0.87 o
1 6 -2 418.21 348.92 5.30 o
1 6 -1 962.21 859.78 10.01 o
1 6 0 15.84 16.00 1.61 o
1 7 -4 8.24 5.86 0.63 o
1 7 -3 0.06 0.53 0.33 <
1 7 -2 105.23 104.38 3.18 o
1 7 -1 51.60 39.28 2.26 o
1 7 0 203.32 227.78 6.35 o
1 8 -4 25.76 20.88 1.24 o
1 8 -3 3.67 2.81 0.59 o
1 8 -2 120.58 92.08 3.26 o
1 8 -1 11.34 8.79 1.16 o
1 8 0 23.61 21.50 1.98 o
1 9 -4 96.81 84.27 2.66 o
1 9 -3 86.35 88.14 3.14 o
1 9 -2 95.20 83.69 3.28 o
1 9 -1 50.22 33.63 2.17 o
1 9 0 0.00 0.35 0.51 <
1 10 -4 20.11 18.94 1.38 o
1 10 -3 22.05 26.72 1.87 o
1 10 -2 76.08 70.70 3.20 o
1 10 -1 115.97 92.85 3.90 o
1 11 -3 2.21 1.10 0.58 <
1 11 -2 39.93 32.13 2.31 o
2 -12 1 51.23 64.85 3.70 o
2 -11 0 2.13 2.49 0.70 o
2 -11 1 91.95 111.52 4.63 o
2 -11 2 195.23 217.47 5.93 o
2 -10 -1 38.21 38.67 2.11 o
2 -10 0 128.17 143.49 3.76 o
2 -10 1 28.93 33.15 2.40 o
2 -10 2 233.12 254.17 6.08 o
2 -10 3 86.04 101.37 3.45 o
2 -9 -2 0.60 2.33 0.69 o
2 -9 -1 193.50 202.33 4.53 o
2 -9 0 23.15 24.76 1.53 o
2 -9 1 51.45 61.80 3.25 o
2 -9 2 171.99 197.90 5.36 o
2 -9 3 0.06 1.30 0.53 <
2 -9 4 4.61 10.19 1.02 o
2 -8 -3 293.71 296.58 6.00 o
2 -8 -2 12.77 15.89 1.34 o
2 -8 -1 46.79 50.63 2.23 o
2 -8 0 343.68 338.87 5.30 o
2 -8 1 0.32 0.85 0.56 <
2 -8 2 58.15 59.14 2.62 o
2 -8 3 25.49 32.15 1.86 o
2 -8 4 49.20 38.49 1.87 o
2 -8 5 53.02 67.01 2.07 o
2 -7 -4 194.05 211.98 5.10 o
2 -7 -3 72.20 65.87 2.77 o
2 -7 -2 147.55 162.79 3.96 o
2 -7 -1 0.53 0.68 0.41 <
2 -7 0 2.09 2.04 0.50 o
2 -7 1 8.53 8.24 1.07 o
2 -7 2 126.22 149.93 4.03 o
2 -6 -5 19.94 22.46 2.53 o
2 -6 -4 0.57 0.12 0.61 <
2 -6 -3 414.36 405.91 6.38 o
2 -6 -2 20.27 20.63 1.38 o
2 -6 -1 142.68 152.03 3.33 o
2 -6 0 288.34 268.58 5.90 o
2 -6 1 404.25 394.85 6.25 o
2 -5 -6 370.91 384.71 6.90 o
2 -5 -5 61.03 69.43 2.83 o
2 -5 -4 135.80 144.78 3.80 o
2 -5 -3 1595.03 1533.34 12.07 o
2 -5 -2 7.57 7.42 0.82 o
2 -5 -1 1715.81 1835.88 11.84 o
2 -4 -7 52.43 60.70 3.81 o
2 -4 -6 10.36 9.95 1.14 o
2 -4 -5 175.31 196.34 4.44 o
2 -4 -4 498.07 504.30 6.82 o
2 -4 -3 125.29 119.22 4.28 o
2 -4 -2 6.00 10.24 0.86 o
2 -4 -1 153.15 144.98 4.05 o
2 -3 -8 137.87 131.55 3.95 o
2 -3 -7 286.85 286.15 8.02 o
2 -3 -6 482.38 490.71 7.06 o
2 -3 -5 102.93 113.52 3.15 o
2 -3 -4 171.46 172.53 3.66 o
2 -3 -3 125.72 144.15 4.38 o
2 -2 -9 101.97 119.38 5.00 o
2 -2 -8 10.02 12.20 1.22 o
2 -2 -7 8.63 9.37 0.99 o
2 -2 -6 252.27 260.20 4.71 o
2 -2 -5 240.23 226.15 4.07 o
2 -2 -4 0.55 0.46 0.31 <
2 -2 -3 1290.34 1293.10 12.70 o
2 -1 -10 68.99 76.33 2.82 o
2 -1 -9 44.27 43.53 2.96 o
2 -1 -8 23.22 22.77 1.45 o
2 -1 -7 0.73 0.62 0.41 <
2 -1 -6 198.94 194.04 3.76 o
2 -1 -4 440.70 425.10 4.89 o
2 0 -11 22.01 25.45 2.05 o
2 0 -10 49.38 47.39 2.05 o
2 0 -9 32.35 33.60 1.67 o
2 0 -8 23.64 21.35 1.81 o
2 0 -7 23.71 24.40 1.33 o
2 0 -6 152.55 143.82 3.03 o
2 1 -10 0.47 1.45 0.49 <
2 1 -9 0.02 0.46 0.64 <
2 1 -8 187.87 220.22 5.88 o
2 1 -7 29.42 41.03 2.22 o
2 1 -6 226.80 229.27 4.82 o
2 2 -10 76.26 77.65 2.85 o
2 2 -9 7.94 11.23 1.11 o
2 2 -8 148.53 149.74 3.88 o
2 2 -7 5.98 7.47 0.89 o
2 2 -5 7.72 7.42 0.69 o
2 3 -9 4.13 4.72 0.64 o
2 3 -8 1.44 1.81 0.43 o
2 3 -7 83.29 81.24 2.39 o
2 3 -6 190.30 171.09 3.35 o
2 4 -8 96.82 77.71 1.87 o
2 4 -7 326.47 282.52 3.53 o
2 5 -6 16.55 14.49 0.60 o
2 8 -5 106.88 90.26 2.30 o
3 -12 1 2.31 3.26 1.10 <
3 -11 0 68.07 84.84 4.35 o
3 -11 1 6.21 8.70 1.53 o
3 -10 -1 124.01 114.87 5.03 o
3 -10 0 92.70 104.26 4.58 o
3 -10 1 22.11 30.53 2.46 o
3 -9 -2 3.41 3.72 0.79 o
3 -9 -1 192.52 210.62 6.57 o
3 -9 0 44.49 41.94 2.72 o
3 -8 -3 1.67 4.36 0.86 o
3 -8 -2 3.85 6.36 1.25 o
3 -8 -1 72.83 71.57 3.57 o
3 -7 -4 237.91 232.69 5.32 o
3 -7 -3 110.87 109.89 3.49 o
3 -7 -2 115.79 107.05 4.53 o
3 -6 -5 15.67 12.80 1.36 o
3 -6 -4 111.53 121.15 3.68 o
3 -6 -3 105.15 101.50 3.28 o
3 -5 -6 111.31 104.58 3.56 o
3 -5 -5 100.16 95.24 3.22 o
3 -5 -4 42.29 41.53 2.10 o
3 -5 -3 1026.79 1131.29 15.35 o
3 -4 -7 140.18 129.86 5.44 o
3 -4 -6 11.83 9.96 1.09 o
3 -4 -5 2.55 4.06 0.76 o
3 -4 -4 421.27 468.20 6.73 o
3 -3 -8 1.41 0.47 0.49 <
3 -3 -7 53.74 57.88 3.55 o
3 -3 -6 292.94 306.43 5.47 o
3 -3 -5 29.12 23.94 1.50 o
3 -2 -9 0.14 0.33 0.51 <
3 -2 -8 240.33 258.02 5.15 o
3 -2 -7 4.87 4.65 0.74 o
3 -2 -6 441.92 391.58 8.15 o
3 -1 -10 37.00 43.41 3.02 o
3 -1 -9 71.08 72.76 3.66 o
3 -1 -8 488.91 407.37 8.37 o
3 -1 -7 14.04 12.24 1.43 o
3 -1 -6 25.18 24.73 1.84 o
3 0 -11 83.86 79.38 3.69 o
3 0 -10 249.16 262.01 6.80 o
3 0 -9 218.41 209.29 5.82 o
3 0 -8 27.19 22.76 1.90 o
3 0 -7 347.69 281.03 6.16 o
3 1 -10 15.52 18.60 1.70 o
3 1 -9 0.15 1.15 0.58 <
3 1 -7 149.76 128.13 3.83 o
3 2 -10 8.32 7.61 1.04 o
3 2 -9 15.55 20.18 1.61 o
3 2 -8 195.90 173.94 4.36 o
3 3 -9 43.90 41.87 1.99 o
3 3 -8 198.68 187.54 4.17 o
3 4 -9 23.12 17.31 1.09 o
4 -2 -9 48.53 40.72 2.84 o