#------------------------------------------------------------------------------
#$Date: 2022-11-10 04:38:44 +0200 (Thu, 10 Nov 2022) $
#$Revision: 279168 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109082.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_2109082
_cell_angle_alpha                90.000
_cell_angle_beta                 100.777
_cell_angle_gamma                90.000
_cell_length_a                   5.1730
_cell_length_b                   9.3305
_cell_length_c                   6.3822
_exptl_crystal_F_000             208.00
_reflns_d_resolution_high        0.7872
_cod_data_source_file            aw5073MBE_3.07GPasup7.hkl
_cod_data_source_block           MBE_3.07GPa
_shelx_title                     ' MBE_307GPa in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            92.87
_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 0 581.36 599.68 6.41 o
2 1 0 256.38 263.18 4.49 o
1 2 0 3653.22 3868.30 13.02 o
2 2 0 4458.69 4382.38 17.70 o
3 2 0 2601.04 2598.81 23.98 o
1 3 0 0.73 2.55 1.04 o
2 3 0 481.57 480.92 8.63 o
3 3 0 170.75 133.77 3.38 o
1 4 0 7012.48 5658.99 32.33 o
2 4 0 526.60 539.03 5.90 o
3 4 0 3069.88 3157.91 27.12 o
4 4 0 113.66 94.63 4.93 o
2 5 0 350.39 368.41 6.03 o
3 5 0 4.08 29.16 8.99 o
4 5 0 287.01 261.46 8.33 o
2 6 0 849.59 705.76 13.78 o
3 6 0 1407.83 1433.01 15.52 o
4 6 0 281.30 294.56 11.68 o
5 6 0 350.53 342.96 10.69 o
3 7 0 28.44 35.92 5.25 o
4 7 0 282.32 298.37 9.52 o
5 7 0 115.21 109.29 8.79 o
4 8 0 656.76 705.23 31.38 o
-3 1 1 657.84 639.78 6.90 o
-2 1 1 2605.76 2534.17 7.87 o
-1 1 1 1059.80 1119.10 5.54 o
1 1 1 168.97 173.15 3.26 o
-4 2 1 399.58 398.37 8.64 o
-3 2 1 1958.89 1873.58 9.10 o
-2 2 1 1678.08 1679.50 7.76 o
-1 2 1 8625.38 9079.98 128.61 o
0 2 1 6332.90 6516.90 19.37 o
1 2 1 8265.49 8296.12 37.42 o
2 2 1 3484.79 3609.00 33.47 o
-4 3 1 443.10 413.83 15.79 o
-3 3 1 1418.65 1395.49 10.52 o
-2 3 1 1263.11 1235.42 13.18 o
0 3 1 862.12 857.07 16.20 o
1 3 1 965.32 1009.96 9.62 o
2 3 1 8.26 22.36 2.44 o
3 3 1 30.76 27.63 3.04 o
-5 4 1 14.85 25.88 12.79 o
-4 4 1 1069.99 996.48 9.56 o
-3 4 1 3.05 0.00 2.09 o
-2 4 1 4242.05 4375.74 16.24 o
1 4 1 487.69 465.23 15.06 o
2 4 1 5039.28 5139.80 18.53 o
3 4 1 172.34 157.75 11.22 o
-5 5 1 1403.74 1418.66 27.98 o
-4 5 1 1.45 7.55 5.68 o
-3 5 1 1973.22 2136.61 13.98 o
1 5 1 288.21 274.87 4.55 o
2 5 1 48.66 51.43 3.02 o
3 5 1 0.25 0.00 3.05 o
4 5 1 13.02 16.00 4.38 o
-5 6 1 110.23 98.34 7.53 o
-4 6 1 559.92 601.39 9.64 o
-3 6 1 127.31 128.65 9.17 o
2 6 1 2343.35 2603.36 38.39 o
3 6 1 410.71 460.92 30.18 o
4 6 1 1441.75 1452.16 39.34 o
-5 7 1 240.75 226.59 13.43 o
-4 7 1 309.04 326.20 14.34 o
2 7 1 0.62 0.00 3.44 o
3 7 1 3.30 15.38 4.10 o
4 7 1 2.54 4.51 4.88 o
3 8 1 709.03 777.11 25.78 o
4 8 1 63.37 64.29 7.36 o
-2 0 2 2428.94 2407.69 7.86 o
-4 1 2 362.61 344.98 7.89 o
-3 1 2 4423.22 4297.65 15.50 o
-2 1 2 560.21 553.81 13.85 o
-1 1 2 8219.74 8470.38 20.35 o
0 1 2 1052.99 1113.73 5.41 o
-4 2 2 65.59 57.32 4.51 o
-3 2 2 603.33 613.22 5.26 o
-2 2 2 689.87 650.99 17.60 o
-1 2 2 1738.30 1794.00 8.31 o
0 2 2 2371.49 2414.74 11.64 o
1 2 2 1104.16 1029.54 6.33 o
-5 3 2 717.26 693.38 23.02 o
-4 3 2 2530.89 2598.02 33.55 o
-3 3 2 1337.76 1331.18 15.43 o
-2 3 2 2833.81 3130.51 14.73 o
-1 3 2 827.62 785.87 21.60 o
0 3 2 1715.38 1599.35 11.61 o
1 3 2 608.68 543.60 7.82 o
2 3 2 860.46 857.12 8.50 o
-5 4 2 33.63 31.05 5.40 o
-4 4 2 30.03 20.83 4.29 o
-3 4 2 398.45 391.20 6.61 o
0 4 2 98.50 108.48 8.79 o
1 4 2 3430.63 3571.38 15.72 o
2 4 2 57.31 65.65 3.18 o
3 4 2 2383.75 2271.26 43.80 o
-5 5 2 13.95 17.43 8.24 o
-4 5 2 1335.57 1421.44 24.80 o
-3 5 2 33.90 24.14 4.24 o
0 5 2 3516.08 2773.39 29.67 o
1 5 2 5.71 4.86 1.98 o
2 5 2 864.02 916.37 26.37 o
3 5 2 5.26 0.05 3.62 o
-5 6 2 8.09 6.50 8.21 o
-4 6 2 91.41 97.68 9.53 o
1 6 2 2096.64 2230.92 17.87 o
2 6 2 202.63 263.58 25.02 o
3 6 2 1042.05 1135.47 33.93 o
4 6 2 127.96 161.04 8.20 o
2 7 2 102.69 106.60 11.68 o
3 7 2 277.64 264.70 7.60 o
4 7 2 9.66 6.92 6.17 o
2 8 2 727.50 436.19 13.27 o
3 8 2 231.04 227.62 9.14 o
3 9 2 75.03 44.50 10.88 o
-3 0 3 0.95 6.12 1.97 o
-1 0 3 341.12 443.12 17.94 o
-4 1 3 3038.43 3226.09 16.82 o
-3 1 3 396.71 423.67 4.42 o
-2 1 3 5273.14 5348.81 14.85 o
-1 1 3 661.86 847.12 21.95 o
0 1 3 4772.49 5106.38 15.75 o
-5 2 3 50.08 44.85 6.53 o
-4 2 3 25.19 13.57 3.31 o
-3 2 3 7.51 3.72 1.97 o
-2 2 3 4.23 5.50 1.00 o
-1 2 3 362.09 344.90 5.35 o
0 2 3 505.35 472.18 3.88 o
1 2 3 715.86 618.63 10.97 o
-5 3 3 802.82 821.33 14.21 o
-4 3 3 503.36 484.22 9.81 o
-3 3 3 2730.12 2797.58 38.47 o
-2 3 3 1606.81 1592.62 15.55 o
-1 3 3 5622.91 5614.18 30.86 o
0 3 3 2239.77 2172.20 16.95 o
1 3 3 3633.21 3576.39 14.99 o
-5 4 3 18.27 23.92 6.08 o
-4 4 3 24.71 20.12 4.87 o
-3 4 3 108.31 109.81 6.19 o
-1 4 3 0.45 1.37 1.93 o
0 4 3 636.02 620.73 11.05 o
1 4 3 274.34 276.27 4.62 o
2 4 3 866.47 878.52 14.78 o
-5 5 3 1257.59 1293.17 23.59 o
-4 5 3 27.71 27.36 5.08 o
0 5 3 55.61 47.65 3.20 o
1 5 3 2043.46 2122.39 12.00 o
2 5 3 63.13 85.64 11.92 o
3 5 3 1118.78 1063.72 34.09 o
-5 6 3 2.68 12.13 7.75 o
0 6 3 215.87 236.22 7.20 o
1 6 3 157.32 216.53 18.11 o
2 6 3 518.78 575.38 13.45 o
3 6 3 151.77 154.05 5.98 o
1 7 3 779.64 876.56 19.02 o
2 7 3 324.70 354.88 7.69 o
3 7 3 234.76 240.49 7.51 o
2 8 3 88.03 107.51 8.99 o
3 8 3 160.93 167.16 7.15 o
3 9 3 4.69 0.00 10.97 o
-4 0 4 486.22 526.07 8.55 o
-2 0 4 478.25 473.63 5.48 o
-5 1 4 743.73 753.16 16.12 o
-4 1 4 301.06 309.85 8.08 o
-3 1 4 2422.30 2541.69 14.66 o
-2 1 4 641.56 673.00 4.76 o
-1 1 4 5228.00 5295.62 16.10 o
-5 2 4 256.19 264.17 9.44 o
-4 2 4 529.20 515.31 7.58 o
-3 2 4 95.31 72.27 2.26 o
-2 2 4 264.89 249.09 4.19 o
-1 2 4 6.79 5.08 1.81 o
0 2 4 0.71 0.00 2.37 o
-5 3 4 245.58 229.72 8.93 o
-4 3 4 1148.86 1226.87 14.03 o
-3 3 4 768.02 886.92 21.00 o
-2 3 4 1910.80 1840.14 20.49 o
-1 3 4 737.26 730.42 6.63 o
0 3 4 1982.02 1982.78 18.32 o
1 3 4 794.70 761.86 13.98 o
-5 4 4 368.76 365.64 10.94 o
-4 4 4 11.21 8.14 4.69 o
-2 4 4 4.47 3.21 2.92 o
-1 4 4 97.72 79.34 2.98 o
0 4 4 8.39 13.70 3.47 o
1 4 4 62.65 35.54 3.04 o
-5 5 4 13.32 13.23 6.07 o
-1 5 4 22.31 16.17 3.56 o
0 5 4 3287.82 3337.91 25.43 o
1 5 4 27.19 6.15 4.69 o
2 5 4 1464.83 1457.93 16.15 o
0 6 4 11.44 29.27 16.77 o
1 6 4 37.80 28.94 4.11 o
2 6 4 10.47 16.80 4.14 o
0 7 4 617.90 566.51 18.42 o
1 7 4 590.89 649.30 13.42 o
2 7 4 417.38 462.75 14.93 o
3 7 4 382.06 397.33 11.66 o
1 8 4 5.42 2.99 7.71 o
2 8 4 22.36 21.90 4.90 o
2 9 4 7.94 0.68 10.97 o
-5 0 5 1190.06 1111.72 20.70 o
-3 0 5 1231.59 1221.87 11.87 o
-5 1 5 22.37 19.49 4.99 o
-4 1 5 598.50 593.64 6.69 o
-3 1 5 29.08 29.43 2.80 o
-2 1 5 1536.30 1492.46 12.68 o
-1 1 5 185.58 187.97 9.13 o
-5 2 5 366.09 337.73 23.42 o
-4 2 5 342.81 336.01 9.58 o
-3 2 5 645.74 661.13 8.85 o
-2 2 5 627.17 672.00 8.77 o
-1 2 5 610.85 588.84 7.36 o
-5 3 5 155.38 137.65 13.12 o
-4 3 5 73.39 74.81 6.42 o
-3 3 5 735.62 788.41 17.11 o
-2 3 5 408.89 360.24 6.64 o
-1 3 5 1767.50 1881.43 17.60 o
0 3 5 870.73 886.65 13.44 o
-5 4 5 36.20 35.20 12.24 o
-2 4 5 668.78 712.76 11.61 o
-1 4 5 48.07 28.77 3.35 o
0 4 5 391.83 379.32 10.38 o
1 4 5 25.93 15.05 6.68 o
-2 5 5 29.80 25.67 7.26 o
-1 5 5 913.39 874.79 13.76 o
0 5 5 10.86 8.26 4.61 o
1 5 5 1082.83 1049.81 29.00 o
-1 6 5 65.17 64.18 6.17 o
0 6 5 128.89 126.27 6.61 o
1 6 5 1.70 0.00 6.97 o
2 6 5 24.13 16.76 7.88 o
0 7 5 433.24 551.14 15.39 o
1 7 5 352.56 366.86 15.15 o
2 7 5 283.18 289.58 19.83 o
1 8 5 53.89 42.14 12.59 o
-4 0 6 860.25 859.41 12.04 o
-5 1 6 6.67 4.17 7.01 o
-4 1 6 43.08 39.61 3.30 o
-3 1 6 112.27 107.98 4.74 o
-2 1 6 127.74 118.64 5.20 o
-5 2 6 324.76 311.59 16.28 o
-4 2 6 654.67 643.43 10.29 o
-3 2 6 428.92 411.48 8.07 o
-2 2 6 660.23 674.92 9.93 o
-1 2 6 308.56 311.58 8.52 o
-3 3 6 68.13 61.68 4.66 o
-2 3 6 174.99 153.82 5.55 o
-1 3 6 106.84 98.45 4.83 o
-3 4 6 831.18 868.29 14.88 o
-2 4 6 34.48 34.06 4.07 o
-1 4 6 827.60 825.86 11.60 o
0 4 6 47.77 44.71 6.41 o
-2 5 6 217.70 255.71 9.37 o
-1 5 6 1.94 0.00 4.91 o
0 5 6 567.89 564.11 20.47 o
-1 6 6 554.56 601.16 20.68 o
0 6 6 116.01 112.02 7.33 o
1 6 6 196.68 185.85 10.35 o
-1 7 6 92.69 75.29 11.30 o
0 7 6 140.05 129.33 8.41 o
-3 1 7 18.24 19.02 5.00 o
-3 2 7 515.00 500.33 11.33 o
-2 2 7 411.13 406.03 32.38 o
-3 3 7 0.04 3.83 4.72 o
-2 3 7 0.23 0.58 4.22 o
-3 4 7 15.34 18.84 7.35 o
-2 4 7 637.57 623.35 24.01 o
-1 4 7 38.70 34.82 8.65 o
-1 5 7 28.91 25.44 11.89 o