#------------------------------------------------------------------------------
#$Date: 2022-11-10 04:38:44 +0200 (Thu, 10 Nov 2022) $
#$Revision: 279168 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109083.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_2109083
_cell_angle_alpha                90.000
_cell_angle_beta                 101.076
_cell_angle_gamma                90.000
_cell_length_a                   5.1066
_cell_length_b                   9.2059
_cell_length_c                   6.2849
_exptl_crystal_F_000             208.00
_reflns_d_resolution_high        0.7954
_cod_data_source_file            aw5073MBE_3.87GPasup8.hkl
_cod_data_source_block           MBE_3.87GPa
_shelx_title                     ' MBE_387GPa in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            90.17
_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 0 561.21 534.52 6.76 o
2 1 0 219.14 225.76 4.40 o
1 2 0 3448.01 3458.90 16.10 o
2 2 0 3883.35 3781.68 19.84 o
3 2 0 2024.64 1914.86 22.72 o
1 3 0 0.43 2.23 2.18 o
2 3 0 332.55 146.37 6.65 o
3 3 0 136.48 76.64 4.89 o
4 3 0 520.53 569.64 19.42 o
2 4 0 465.74 394.22 10.90 o
3 4 0 2288.90 2187.23 36.80 o
4 4 0 88.08 70.66 12.37 o
2 5 0 231.17 250.17 8.86 o
3 5 0 4.84 0.00 9.23 o
4 5 0 133.83 127.04 8.83 o
5 5 0 0.54 0.00 12.01 o
3 6 0 800.65 815.51 75.98 o
4 6 0 144.40 131.01 9.06 o
5 6 0 143.46 137.41 15.30 o
3 7 0 11.08 0.00 9.25 o
4 7 0 132.02 128.17 9.78 o
5 7 0 41.87 36.94 14.91 o
4 8 0 261.06 210.79 27.57 o
-1 0 1 5381.59 5889.85 15.30 o
-3 1 1 555.82 495.89 8.11 o
-2 1 1 2455.17 2277.63 19.81 o
-1 1 1 917.88 1008.95 10.26 o
1 1 1 114.32 144.38 3.22 o
-4 2 1 305.44 252.28 9.38 o
-3 2 1 1671.94 1686.37 13.29 o
-2 2 1 1436.12 1197.64 41.07 o
-1 2 1 8131.44 8237.37 98.65 o
0 2 1 6011.18 6103.41 31.37 o
1 2 1 7390.66 7559.68 47.71 o
2 2 1 2932.65 3041.78 44.87 o
-4 3 1 285.49 343.75 35.64 o
-3 3 1 1056.59 1067.02 16.36 o
-2 3 1 990.49 838.60 13.80 o
1 3 1 859.52 832.02 9.74 o
2 3 1 0.53 25.90 5.70 o
3 3 1 22.25 21.75 5.61 o
-5 4 1 6.88 105.35 16.93 o
-4 4 1 654.98 615.11 18.37 o
-3 4 1 6.22 0.00 4.76 o
-2 4 1 3290.77 3281.41 34.18 o
1 4 1 391.44 298.68 15.36 o
2 4 1 3765.83 3736.35 67.51 o
3 4 1 93.15 141.27 23.50 o
4 4 1 1194.90 1331.57 52.99 o
-5 5 1 706.43 767.88 26.67 o
-4 5 1 1.92 0.00 9.46 o
-3 5 1 1345.86 1404.42 65.13 o
1 5 1 214.61 168.26 5.76 o
2 5 1 46.79 46.02 10.12 o
3 5 1 0.15 0.00 6.74 o
4 5 1 3.89 5.48 8.37 o
-5 6 1 35.46 30.92 11.86 o
-4 6 1 319.04 308.86 20.61 o
-3 6 1 69.10 29.12 9.79 o
2 6 1 1498.45 1633.92 63.08 o
3 6 1 233.73 204.60 9.92 o
4 6 1 717.92 659.03 36.48 o
-5 7 1 81.47 94.12 18.58 o
-4 7 1 162.12 121.40 14.41 o
3 7 1 10.29 8.65 7.79 o
4 7 1 0.74 0.00 9.99 o
4 8 1 22.51 24.93 11.83 o
-2 0 2 2109.77 2070.19 16.35 o
-4 1 2 260.47 250.62 11.11 o
-3 1 2 3622.24 3799.08 32.40 o
-2 1 2 604.52 697.70 44.78 o
-1 1 2 7945.37 8370.61 23.72 o
0 1 2 990.03 1040.84 11.39 o
-4 2 2 36.99 0.00 8.70 o
-3 2 2 472.01 471.39 6.69 o
-2 2 2 540.15 365.31 19.52 o
-1 2 2 1623.43 1685.65 8.04 o
0 2 2 2173.68 2079.11 11.91 o
1 2 2 921.36 670.31 17.91 o
-5 3 2 411.33 438.52 22.01 o
-4 3 2 1808.57 2012.59 24.13 o
-3 3 2 1128.84 1113.19 11.83 o
-2 3 2 2357.41 2400.09 40.51 o
0 3 2 1391.95 1333.32 37.08 o
1 3 2 522.49 346.31 23.02 o
2 3 2 744.72 697.13 20.54 o
-5 4 2 17.92 6.35 10.78 o
-4 4 2 27.10 19.15 14.16 o
-3 4 2 313.55 222.70 17.20 o
0 4 2 83.44 76.95 4.74 o
1 4 2 2507.39 2593.41 30.86 o
2 4 2 40.09 63.97 10.15 o
3 4 2 1451.46 1486.56 26.95 o
-5 5 2 7.92 1.21 16.53 o
-4 5 2 816.96 973.21 21.67 o
-3 5 2 20.69 1.38 9.26 o
1 5 2 4.10 0.00 4.48 o
2 5 2 627.97 647.74 10.04 o
3 5 2 0.95 4.33 12.60 o
-5 6 2 4.30 3.09 17.12 o
-4 6 2 73.01 55.76 14.49 o
1 6 2 1373.88 1468.60 24.16 o
2 6 2 125.86 182.66 18.80 o
3 6 2 512.95 586.80 29.60 o
4 6 2 45.46 28.05 11.16 o
2 7 2 45.52 39.68 8.80 o
3 7 2 132.60 118.99 11.27 o
4 7 2 3.43 6.43 11.73 o
3 8 2 93.01 63.37 11.34 o
-3 0 3 6.03 34.79 5.25 o
-1 0 3 373.53 605.53 38.66 o
-4 1 3 2303.96 2492.65 28.21 o
-3 1 3 299.31 353.64 6.15 o
-2 1 3 4926.61 4658.71 25.51 o
-1 1 3 581.45 857.38 49.44 o
0 1 3 4274.35 4535.78 25.11 o
-5 2 3 27.27 19.72 12.09 o
-4 2 3 15.08 0.00 13.61 o
-3 2 3 4.56 0.00 4.73 o
-2 2 3 8.55 7.98 2.43 o
-1 2 3 242.11 224.82 15.93 o
0 2 3 342.94 292.14 4.62 o
1 2 3 529.66 427.24 8.29 o
-5 3 3 501.97 530.85 15.87 o
-4 3 3 336.86 416.12 57.67 o
-3 3 3 2146.81 2338.62 54.66 o
-1 3 3 4995.78 5017.35 31.61 o
0 3 3 1841.02 1780.29 15.14 o
1 3 3 2969.16 2911.39 24.24 o
2 3 3 401.42 306.71 11.91 o
-5 4 3 15.12 24.35 15.13 o
-4 4 3 16.72 12.04 14.48 o
-3 4 3 86.13 62.84 9.31 o
-1 4 3 1.67 0.00 4.79 o
0 4 3 429.02 403.72 8.36 o
1 4 3 184.93 203.71 11.36 o
2 4 3 526.84 506.20 14.67 o
-5 5 3 639.83 821.52 19.14 o
-4 5 3 15.12 1.80 9.53 o
0 5 3 25.33 20.47 5.77 o
1 5 3 1399.23 1486.04 21.47 o
2 5 3 36.84 8.96 10.91 o
3 5 3 598.52 619.85 21.84 o
-5 6 3 8.60 17.61 23.54 o
1 6 3 90.99 175.48 13.44 o
2 6 3 227.82 228.87 18.97 o
3 6 3 70.08 48.50 8.55 o
1 7 3 463.19 406.01 14.14 o
2 7 3 166.72 160.74 9.20 o
3 7 3 127.81 82.96 9.86 o
2 8 3 27.64 52.90 12.57 o
3 8 3 48.31 48.12 10.26 o
-4 0 4 366.50 411.44 15.03 o
-2 0 4 567.43 534.11 7.36 o
-5 1 4 477.92 468.92 50.57 o
-4 1 4 235.38 224.46 21.25 o
-3 1 4 1859.94 2096.35 27.76 o
-2 1 4 563.77 601.29 8.37 o
-1 1 4 4330.72 4277.02 75.49 o
-5 2 4 172.06 165.40 15.50 o
-4 2 4 397.86 373.79 9.07 o
-3 2 4 94.38 19.22 4.84 o
-2 2 4 230.60 203.29 5.93 o
-1 2 4 4.89 0.65 4.36 o
0 2 4 1.71 12.55 4.47 o
-5 3 4 147.17 133.70 13.46 o
-4 3 4 730.03 880.39 20.72 o
-3 3 4 602.11 699.82 14.07 o
-2 3 4 1563.21 1646.00 52.00 o
-1 3 4 635.95 563.47 12.97 o
0 3 4 1485.95 1515.21 16.37 o
1 3 4 532.82 613.70 16.57 o
-5 4 4 228.49 224.62 14.73 o
-4 4 4 10.83 3.19 9.48 o
-2 4 4 0.45 0.00 7.74 o
-1 4 4 88.28 107.84 13.95 o
0 4 4 8.80 0.00 10.20 o
1 4 4 20.02 0.00 8.24 o
-5 5 4 13.61 22.63 12.48 o
-1 5 4 14.51 7.31 7.78 o
0 5 4 2236.92 2524.14 30.51 o
1 5 4 22.81 0.00 12.77 o
2 5 4 813.48 898.11 22.55 o
0 6 4 15.53 32.63 11.94 o
1 6 4 13.08 8.19 8.81 o
2 6 4 4.70 0.00 7.88 o
3 6 4 37.79 29.43 23.56 o
1 7 4 294.07 291.06 33.16 o
2 7 4 194.77 186.09 12.04 o
3 7 4 144.63 115.05 13.80 o
2 8 4 6.08 2.00 9.09 o
-5 0 5 763.58 581.20 27.16 o
-3 0 5 1029.18 1069.13 42.67 o
-5 1 5 10.83 8.12 13.75 o
-4 1 5 389.39 389.94 8.81 o
-3 1 5 20.08 74.41 9.70 o
-2 1 5 1235.45 1177.01 17.57 o
-1 1 5 149.90 128.93 19.37 o
-5 2 5 238.07 176.59 21.65 o
-4 2 5 238.88 235.92 10.59 o
-3 2 5 565.85 519.50 13.00 o
-2 2 5 521.14 633.33 30.21 o
-1 2 5 540.05 430.18 7.94 o
-5 3 5 109.74 89.60 21.32 o
-4 3 5 42.97 21.14 13.05 o
-3 3 5 487.16 538.35 13.87 o
-2 3 5 261.42 228.47 9.31 o
-1 3 5 1160.17 1424.92 28.81 o
0 3 5 588.40 485.77 19.17 o
-2 4 5 508.72 535.50 17.28 o
-1 4 5 40.56 48.48 21.33 o
0 4 5 310.75 392.90 38.92 o
1 4 5 7.09 3.60 11.44 o
-1 5 5 564.22 573.78 16.35 o
0 5 5 6.19 7.79 10.54 o
1 5 5 565.55 654.19 20.61 o
-1 6 5 25.51 18.71 11.06 o
0 6 5 78.68 96.20 12.76 o
1 6 5 0.67 0.00 13.37 o
2 6 5 24.58 32.61 16.93 o
0 7 5 203.74 180.91 12.78 o
1 7 5 129.69 126.42 19.39 o
-4 0 6 604.84 581.22 15.77 o
-5 1 6 2.93 0.00 24.93 o
-4 1 6 21.85 16.16 7.08 o
-3 1 6 59.04 43.90 7.02 o
-2 1 6 78.42 89.35 9.11 o
-4 2 6 411.12 407.89 13.22 o
-3 2 6 334.27 274.59 11.39 o
-2 2 6 486.14 440.71 13.68 o
-1 2 6 211.11 234.92 12.11 o
-3 3 6 35.42 55.45 10.17 o
-2 3 6 130.39 86.46 9.35 o
-1 3 6 64.80 28.48 9.36 o
-3 4 6 577.80 404.37 19.69 o
-2 4 6 34.85 21.93 9.30 o
-1 4 6 549.70 594.01 43.97 o
0 4 6 20.77 23.09 10.94 o
-2 5 6 101.23 99.69 13.99 o
-1 5 6 0.09 35.34 12.11 o
0 5 6 263.58 335.12 17.62 o
-1 6 6 328.77 309.57 16.96 o
0 6 6 66.64 63.73 13.19 o
1 6 6 108.64 166.73 29.35 o
0 7 6 56.73 84.85 22.96 o
-3 1 7 9.12 0.00 13.24 o
-3 2 7 340.34 356.29 38.70 o
-2 2 7 245.75 216.04 12.71 o
-3 3 7 1.50 15.82 13.02 o
-2 3 7 1.66 0.00 10.36 o
-2 4 7 357.47 383.10 17.41 o
-1 4 7 25.20 18.50 19.68 o