#------------------------------------------------------------------------------
#$Date: 2022-11-10 04:38:44 +0200 (Thu, 10 Nov 2022) $
#$Revision: 279168 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109080.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_2109080
_cell_angle_alpha                90.000
_cell_angle_beta                 100.623
_cell_angle_gamma                90.000
_cell_length_a                   5.2831
_cell_length_b                   9.4910
_cell_length_c                   6.5957
_exptl_crystal_F_000             208.00
_reflns_d_resolution_high        0.7889
_cod_data_source_file            aw5073MBE_1.83GPasup5.hkl
_cod_data_source_block           MBE_1.83GPa
_shelx_title                     ' MBE_183GPa in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            84.95
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
1 1 0 684.63 708.92 6.14 o
1 2 0 3674.00 3839.67 19.28 o
2 2 0 4238.70 4201.25 18.42 o
1 3 0 0.58 2.33 0.44 o
2 3 0 564.13 554.88 10.76 o
3 3 0 182.63 191.71 3.44 o
1 4 0 7216.47 7085.32 21.89 o
2 4 0 415.54 435.95 3.50 o
3 4 0 2843.86 2765.52 12.96 o
4 4 0 59.12 54.64 3.73 o
2 5 0 372.93 362.29 4.49 o
3 5 0 1.17 6.23 2.08 o
4 5 0 324.29 340.57 6.51 o
2 6 0 932.06 944.27 8.96 o
3 6 0 1122.04 1092.94 9.45 o
4 6 0 275.89 260.56 5.38 o
2 7 0 240.19 210.41 8.02 o
3 7 0 48.13 47.64 2.58 o
4 7 0 263.03 260.09 6.04 o
5 7 0 131.35 134.24 7.06 o
3 8 0 155.53 161.72 5.30 o
4 8 0 577.52 579.84 9.57 o
4 9 0 6.40 4.60 2.78 o
-2 1 1 2559.68 2563.28 7.94 o
-1 1 1 1146.92 1142.89 11.23 o
-3 2 1 1704.87 1689.86 18.52 o
-2 2 1 1720.09 1778.90 7.65 o
-4 3 1 414.23 453.12 10.93 o
-3 3 1 1392.31 1366.24 8.72 o
-2 3 1 1191.17 1236.02 6.79 o
-1 3 1 2459.43 2481.17 25.85 o
0 3 1 710.06 745.45 9.32 o
1 3 1 836.33 878.44 4.28 o
2 3 1 46.13 50.81 2.05 o
-4 4 1 894.41 900.32 7.88 o
-3 4 1 7.48 7.50 0.96 o
-2 4 1 4066.08 3923.81 18.13 o
1 4 1 388.47 427.90 21.71 o
2 4 1 4869.82 4724.23 16.36 o
3 4 1 112.50 113.77 3.31 o
-5 5 1 1160.25 1172.73 17.74 o
-4 5 1 8.27 12.00 1.82 o
-3 5 1 1951.61 1972.66 16.18 o
-2 5 1 0.41 0.00 0.91 o
1 5 1 184.11 173.25 2.91 o
2 5 1 42.93 42.14 1.57 o
3 5 1 14.60 14.04 1.32 o
-5 6 1 109.64 117.61 6.19 o
-4 6 1 436.55 424.64 6.47 o
-3 6 1 160.14 171.50 4.42 o
1 6 1 732.11 785.18 11.20 o
2 6 1 2235.88 2131.78 11.84 o
3 6 1 457.07 423.93 6.44 o
4 6 1 1105.86 1166.42 14.11 o
-5 7 1 199.66 211.94 6.50 o
-4 7 1 279.82 273.66 5.63 o
-3 7 1 311.83 336.29 7.82 o
2 7 1 0.78 1.62 1.22 o
3 7 1 0.59 1.33 1.59 o
4 7 1 2.03 1.92 2.24 o
-5 8 1 81.04 83.41 11.31 o
-4 8 1 3.28 2.52 1.86 o
2 8 1 221.89 209.04 9.39 o
3 8 1 630.44 610.84 18.75 o
4 8 1 35.01 32.25 3.31 o
3 9 1 51.49 52.98 4.20 o
-2 0 2 2571.62 2596.92 10.58 o
-3 1 2 4145.83 4027.94 13.46 o
-2 1 2 494.90 488.22 3.23 o
0 1 2 1031.21 1057.13 4.70 o
-4 2 2 63.83 63.05 2.99 o
-3 2 2 610.09 618.55 3.90 o
-2 2 2 686.14 734.89 19.00 o
-1 2 2 1880.21 1879.49 8.85 o
0 2 2 2503.52 2544.34 7.06 o
1 2 2 1237.19 1243.64 8.36 o
-4 3 2 2339.20 2310.28 18.82 o
-3 3 2 1198.73 1194.45 6.75 o
-2 3 2 2880.46 2747.39 9.78 o
-1 3 2 715.29 745.87 7.80 o
0 3 2 1517.64 1504.68 7.26 o
1 3 2 518.68 513.09 8.11 o
2 3 2 671.90 666.29 8.39 o
-5 4 2 26.26 31.27 4.56 o
-4 4 2 10.45 11.00 1.80 o
-3 4 2 415.21 425.16 5.72 o
-2 4 2 317.16 334.80 7.43 o
0 4 2 83.79 81.76 1.55 o
1 4 2 3677.63 3607.81 17.39 o
2 4 2 42.77 45.67 1.93 o
-5 5 2 16.71 13.88 2.94 o
-4 5 2 1163.45 1145.61 12.21 o
-3 5 2 48.00 44.81 2.07 o
0 5 2 3210.61 3341.08 26.07 o
1 5 2 17.22 21.19 1.17 o
2 5 2 603.44 599.89 5.70 o
3 5 2 17.06 15.54 1.97 o
-5 6 2 2.57 4.75 3.55 o
-4 6 2 91.74 86.09 4.70 o
-3 6 2 133.53 126.43 5.67 o
1 6 2 2036.55 1987.54 14.68 o
2 6 2 233.45 226.56 4.27 o
3 6 2 935.60 944.37 11.69 o
-5 7 2 337.29 342.66 12.61 o
-4 7 2 539.70 529.07 13.18 o
1 7 2 561.46 597.19 9.65 o
2 7 2 36.50 39.02 2.93 o
3 7 2 184.67 178.95 4.45 o
4 7 2 0.66 8.74 10.93 o
2 8 2 771.94 799.64 9.55 o
3 8 2 167.79 159.29 5.69 o
4 8 2 524.03 539.71 15.33 o
2 9 2 10.22 11.06 3.41 o
3 9 2 44.74 44.84 3.82 o
-3 0 3 0.64 1.89 0.73 o
-1 0 3 480.45 487.45 6.10 o
-4 1 3 2722.96 2693.68 15.43 o
-3 1 3 417.77 424.99 3.07 o
-2 1 3 4975.90 4877.40 8.28 o
-1 1 3 655.53 720.00 10.49 o
0 1 3 4363.20 4319.17 18.37 o
-4 2 3 13.17 22.36 1.68 o
-3 2 3 18.19 20.90 1.19 o
-2 2 3 0.70 2.22 0.47 o
-1 2 3 514.89 501.19 5.42 o
0 2 3 685.42 673.61 6.81 o
-5 3 3 717.30 733.53 11.08 o
-4 3 3 424.69 405.31 7.15 o
-3 3 3 2514.24 2535.40 17.20 o
-2 3 3 1409.66 1438.04 8.46 o
-1 3 3 5405.43 5252.67 20.74 o
0 3 3 1850.78 1850.43 8.95 o
1 3 3 3103.72 3085.30 13.55 o
-5 4 3 12.39 14.81 2.54 o
-4 4 3 17.75 19.38 2.42 o
-3 4 3 107.61 105.47 7.60 o
-1 4 3 0.98 1.91 0.60 o
0 4 3 829.15 835.54 5.20 o
1 4 3 284.97 274.48 3.89 o
2 4 3 1051.41 1038.52 21.81 o
-5 5 3 1052.55 1052.05 17.07 o
-4 5 3 40.36 37.00 2.88 o
-3 5 3 2440.78 2294.04 47.06 o
-1 5 3 2249.76 2207.26 33.24 o
0 5 3 74.88 80.26 2.16 o
1 5 3 1658.55 1602.17 13.08 o
2 5 3 74.50 74.43 3.28 o
-5 6 3 0.82 1.33 2.21 o
-4 6 3 27.60 27.75 3.48 o
0 6 3 270.43 287.26 5.17 o
1 6 3 204.59 199.65 3.34 o
2 6 3 566.32 564.58 7.74 o
3 6 3 161.85 175.40 11.21 o
0 7 3 876.78 775.65 17.54 o
1 7 3 616.82 613.88 9.26 o
2 7 3 288.59 283.00 5.40 o
3 7 3 119.82 124.81 4.22 o
1 8 3 277.08 307.60 8.78 o
2 8 3 86.37 76.10 3.20 o
3 8 3 161.83 158.11 4.80 o
2 9 3 312.27 333.58 7.16 o
3 9 3 12.40 15.83 4.22 o
-4 0 4 360.15 351.93 5.89 o
-2 0 4 247.74 250.96 3.26 o
-4 1 4 262.99 244.43 6.00 o
-3 1 4 2306.46 2293.59 15.20 o
-2 1 4 622.51 613.40 3.73 o
-1 1 4 4935.48 4829.50 18.35 o
-5 2 4 205.06 192.47 6.83 o
-4 2 4 412.52 416.99 5.11 o
-3 2 4 59.40 58.07 1.45 o
-2 2 4 180.74 171.26 2.21 o
-1 2 4 0.19 0.52 0.61 o
0 2 4 31.87 29.28 1.57 o
-5 3 4 191.51 194.25 6.09 o
-4 3 4 1113.56 1119.46 11.29 o
-3 3 4 684.34 674.82 6.64 o
-2 3 4 1883.31 1817.37 18.88 o
-1 3 4 657.16 656.78 5.27 o
0 3 4 1886.81 1864.88 9.19 o
-5 4 4 275.42 273.99 8.20 o
-4 4 4 7.33 12.59 2.80 o
-2 4 4 12.34 13.49 1.39 o
-1 4 4 30.23 29.73 1.35 o
0 4 4 4.07 4.52 1.10 o
1 4 4 138.08 121.54 5.26 o
-5 5 4 19.91 20.66 2.85 o
-4 5 4 684.02 700.54 13.95 o
-1 5 4 45.49 43.76 1.80 o
0 5 4 2958.61 3011.61 18.12 o
1 5 4 44.40 43.37 1.86 o
-5 6 4 125.75 129.82 5.73 o
-1 6 4 19.12 21.53 2.52 o
0 6 4 3.25 3.26 1.50 o
1 6 4 95.62 100.59 2.76 o
2 6 4 1.76 2.90 1.59 o
0 7 4 463.65 485.24 11.91 o
1 7 4 543.38 519.86 10.01 o
2 7 4 268.65 262.67 5.69 o
0 8 4 3.35 0.00 5.40 o
1 8 4 10.93 12.49 2.51 o
2 8 4 49.47 50.67 3.00 o
1 9 4 421.93 429.36 15.42 o
2 9 4 1.94 0.96 2.21 o
-3 0 5 959.94 939.71 9.08 o
-5 1 5 28.77 28.03 2.66 o
-4 1 5 588.52 600.65 5.57 o
-3 1 5 41.41 39.56 1.37 o
-2 1 5 1535.62 1532.11 16.06 o
-1 1 5 203.37 201.52 5.69 o
-5 2 5 279.43 283.01 7.34 o
-4 2 5 269.69 260.97 7.03 o
-3 2 5 448.35 443.18 4.02 o
-2 2 5 467.51 452.23 5.83 o
-1 2 5 363.58 365.89 5.20 o
-5 3 5 148.93 145.91 7.93 o
-4 3 5 68.00 69.46 2.97 o
-3 3 5 754.43 737.63 10.18 o
-2 3 5 389.57 402.48 9.15 o
-1 3 5 1773.43 1804.17 10.02 o
0 3 5 725.21 772.37 18.02 o
-5 4 5 25.46 26.76 4.84 o
-4 4 5 542.59 571.01 14.35 o
-3 4 5 80.77 66.13 4.76 o
-2 4 5 454.79 454.61 7.75 o
-1 4 5 24.49 24.58 1.47 o
0 4 5 192.49 180.88 4.89 o
-2 5 5 35.64 35.52 2.27 o
-1 5 5 871.71 842.38 11.18 o
0 5 5 15.95 19.05 2.42 o
1 5 5 973.50 967.09 14.06 o
-1 6 5 46.82 46.38 3.16 o
0 6 5 58.17 59.81 3.37 o
1 6 5 0.30 0.75 1.85 o
-1 7 5 356.87 349.44 9.41 o
0 7 5 438.50 436.41 8.57 o
1 7 5 283.04 295.78 10.71 o
0 8 5 7.08 9.84 2.93 o
1 8 5 19.77 23.48 4.25 o
-4 0 6 657.97 667.52 11.04 o
-5 1 6 14.73 16.62 2.50 o
-4 1 6 43.63 45.24 1.94 o
-3 1 6 162.91 164.31 2.86 o
-2 1 6 131.37 130.30 3.72 o
-5 2 6 251.07 248.01 10.53 o
-4 2 6 512.35 521.27 7.00 o
-3 2 6 326.05 324.70 5.82 o
-2 2 6 486.09 494.16 6.90 o
-4 3 6 45.11 38.68 4.53 o
-3 3 6 74.59 68.67 3.01 o
-2 3 6 217.68 212.79 4.68 o
-1 3 6 117.55 115.93 4.31 o
-3 4 6 646.63 705.95 10.62 o
-2 4 6 15.92 14.66 1.74 o
-1 4 6 572.57 592.41 8.28 o
-2 5 6 269.03 264.36 5.51 o
-1 5 6 6.28 9.60 2.19 o
0 5 6 569.67 566.73 9.78 o
-2 6 6 84.10 93.04 7.34 o
-1 6 6 347.48 361.19 8.02 o
0 6 6 88.91 91.31 4.47 o
-1 7 6 103.82 115.69 5.43 o
0 7 6 127.75 122.34 5.23 o
0 8 6 72.04 74.45 7.05 o
-4 1 7 0.63 2.20 2.33 o
-3 1 7 7.40 4.79 1.92 o
-4 2 7 143.72 138.03 11.24 o
-3 2 7 381.77 384.63 7.10 o
-4 3 7 3.02 0.00 5.27 o
-3 3 7 5.98 5.54 1.91 o
-2 3 7 2.47 3.24 1.76 o
-3 4 7 11.08 9.51 2.19 o
-2 4 7 469.61 485.56 7.78 o
-3 5 7 3.16 3.56 4.27 o
-2 5 7 2.20 1.28 2.28 o
-1 5 7 50.79 48.42 12.32 o
-1 6 7 56.58 56.24 8.87 o