#------------------------------------------------------------------------------
#$Date: 2022-11-10 04:38:44 +0200 (Thu, 10 Nov 2022) $
#$Revision: 279168 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109081.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_2109081
_cell_angle_alpha                90.000
_cell_angle_beta                 100.664
_cell_angle_gamma                90.000
_cell_length_a                   5.2524
_cell_length_b                   9.4479
_cell_length_c                   6.5350
_exptl_crystal_F_000             208.00
_reflns_d_resolution_high        0.7789
_cod_data_source_file            aw5073MBE_2.13GPasup6.hkl
_cod_data_source_block           MBE_2.13GPa
_shelx_title                     ' MBE_213GPa in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            93.45
_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 0 649.20 678.01 5.33 o
2 1 0 244.08 244.84 3.20 o
1 2 0 3653.04 3899.11 12.20 o
2 2 0 4365.28 4457.78 15.31 o
3 2 0 2568.03 2440.22 17.26 o
1 3 0 0.97 1.74 0.36 o
2 3 0 540.07 543.60 13.26 o
3 3 0 173.65 177.24 2.59 o
1 4 0 7447.48 6498.58 24.02 o
2 4 0 456.12 478.83 3.50 o
3 4 0 2976.50 3019.07 18.70 o
4 4 0 74.71 76.08 2.97 o
2 5 0 385.67 373.41 6.37 o
3 5 0 1.01 5.95 1.42 o
4 5 0 315.80 317.82 5.30 o
2 6 0 967.31 926.08 12.34 o
3 6 0 1298.31 1291.14 11.33 o
4 6 0 298.82 287.08 4.90 o
5 6 0 305.98 300.26 6.61 o
3 7 0 46.51 43.37 2.66 o
4 7 0 295.53 297.16 5.65 o
5 7 0 138.02 142.94 4.18 o
4 8 0 685.14 665.23 15.26 o
-3 1 1 633.82 621.52 4.63 o
-2 1 1 2550.43 2542.48 10.02 o
-1 1 1 1139.33 1164.30 6.04 o
1 1 1 210.52 231.50 2.95 o
-4 2 1 385.37 355.53 11.99 o
-3 2 1 1792.05 1845.15 9.98 o
-2 2 1 1747.29 1800.76 5.88 o
-1 2 1 8733.66 6772.50 33.13 o
0 2 1 6810.16 6464.29 27.98 o
2 2 1 3437.23 3418.06 10.31 o
-4 3 1 428.31 420.44 6.63 o
-3 3 1 1414.49 1428.07 10.77 o
-2 3 1 1264.55 1256.04 7.10 o
0 3 1 761.02 803.73 13.37 o
1 3 1 903.40 948.26 4.13 o
2 3 1 35.20 40.63 2.93 o
3 3 1 12.42 14.92 1.54 o
-5 4 1 10.44 7.50 2.13 o
-4 4 1 997.10 962.02 6.58 o
-3 4 1 5.90 6.17 0.66 o
-2 4 1 4261.25 4291.80 15.17 o
1 4 1 432.03 434.25 11.43 o
2 4 1 5071.87 4984.85 26.84 o
3 4 1 135.93 140.26 2.74 o
-5 5 1 1299.41 1358.43 19.16 o
-4 5 1 5.60 9.38 1.50 o
-3 5 1 2042.87 2037.07 20.01 o
-2 5 1 0.42 0.34 0.62 o
1 5 1 239.02 249.15 4.55 o
2 5 1 43.03 43.23 1.44 o
3 5 1 6.68 5.53 0.82 o
4 5 1 8.78 9.12 1.34 o
-5 6 1 127.20 117.87 4.48 o
-4 6 1 511.01 540.43 7.09 o
-3 6 1 163.54 172.46 4.38 o
2 6 1 2424.43 2360.36 13.58 o
3 6 1 463.23 449.96 6.06 o
4 6 1 1274.64 1283.19 13.98 o
-5 7 1 234.33 245.16 6.52 o
-4 7 1 298.20 315.55 6.75 o
2 7 1 0.55 0.94 1.32 o
3 7 1 0.22 2.78 1.19 o
4 7 1 1.26 1.20 1.28 o
3 8 1 739.43 787.86 23.58 o
4 8 1 49.82 47.04 3.06 o
-2 0 2 2566.71 2574.63 11.92 o
-4 1 2 356.44 306.08 4.85 o
-3 1 2 4286.61 4214.23 11.84 o
-2 1 2 505.81 518.56 3.81 o
-1 1 2 7960.63 7902.42 25.25 o
0 1 2 1056.98 1103.52 5.84 o
-4 2 2 68.09 69.81 2.69 o
-3 2 2 631.25 638.23 4.55 o
-2 2 2 705.40 724.19 11.23 o
-1 2 2 1823.63 1858.75 7.37 o
0 2 2 2463.38 2588.21 9.64 o
1 2 2 1193.29 1181.47 4.59 o
-5 3 2 621.42 586.11 12.57 o
-4 3 2 2462.10 2421.32 21.35 o
-3 3 2 1260.56 1299.76 8.74 o
-2 3 2 2935.10 2936.18 12.59 o
-1 3 2 763.82 720.31 17.68 o
0 3 2 1641.36 1569.09 12.89 o
1 3 2 575.63 586.54 9.08 o
2 3 2 746.40 755.60 5.41 o
-5 4 2 32.40 33.44 2.39 o
-4 4 2 15.81 14.03 1.55 o
-3 4 2 431.48 445.52 5.70 o
0 4 2 92.29 94.12 1.58 o
1 4 2 3731.35 3624.66 13.85 o
2 4 2 49.55 53.78 1.63 o
3 4 2 2284.10 2287.58 20.89 o
-5 5 2 14.90 14.98 2.74 o
-4 5 2 1263.61 1293.62 15.49 o
-3 5 2 43.58 41.13 2.41 o
0 5 2 3461.26 3347.65 26.82 o
1 5 2 16.31 19.08 0.98 o
2 5 2 717.40 717.86 5.49 o
3 5 2 15.79 15.94 1.13 o
-5 6 2 4.90 5.48 2.48 o
-4 6 2 98.55 93.87 4.11 o
1 6 2 2188.56 2253.30 22.61 o
2 6 2 238.95 232.33 3.86 o
3 6 2 1040.25 1026.91 10.58 o
4 6 2 146.85 154.39 5.49 o
-5 7 2 390.55 384.16 16.96 o
2 7 2 62.26 62.04 2.62 o
3 7 2 233.75 227.59 4.39 o
4 7 2 2.42 1.92 1.49 o
2 8 2 842.40 784.93 29.01 o
3 8 2 208.65 214.02 7.04 o
3 9 2 66.02 71.92 6.54 o
-3 0 3 0.22 0.69 0.54 o
-1 0 3 420.76 464.50 4.64 o
-4 1 3 2880.68 2885.78 27.70 o
-3 1 3 422.06 437.50 4.90 o
-2 1 3 5136.02 5132.71 12.32 o
-1 1 3 670.86 765.86 7.08 o
0 1 3 4585.30 4642.03 13.14 o
-5 2 3 51.46 54.76 3.50 o
-4 2 3 16.59 22.12 1.76 o
-3 2 3 15.45 16.54 0.94 o
-2 2 3 0.73 1.16 0.31 o
-1 2 3 478.25 463.46 2.96 o
0 2 3 646.69 639.69 6.43 o
1 2 3 808.40 801.80 9.63 o
-5 3 3 755.30 775.30 10.19 o
-4 3 3 463.59 455.11 6.90 o
-3 3 3 2670.11 2670.86 14.38 o
-2 3 3 1533.81 1340.49 9.90 o
-1 3 3 5640.53 5492.18 24.95 o
0 3 3 2016.19 2016.15 12.77 o
1 3 3 3373.41 3332.15 12.64 o
-5 4 3 14.09 16.75 1.90 o
-4 4 3 20.12 21.03 2.23 o
-3 4 3 117.26 122.04 4.50 o
-1 4 3 0.80 1.89 0.64 o
0 4 3 780.56 793.34 4.19 o
1 4 3 292.86 298.18 3.41 o
2 4 3 1019.13 1009.94 15.65 o
-6 5 3 11.32 15.47 5.08 o
-5 5 3 1208.98 1213.78 21.88 o
-4 5 3 41.19 41.36 2.62 o
0 5 3 71.01 71.37 1.83 o
1 5 3 1889.70 1845.62 9.05 o
2 5 3 71.70 73.60 2.52 o
3 5 3 918.19 949.97 14.91 o
-5 6 3 0.47 0.91 1.60 o
0 6 3 274.43 303.61 5.92 o
1 6 3 198.26 204.70 3.55 o
2 6 3 587.90 578.36 6.38 o
3 6 3 165.43 169.88 3.82 o
1 7 3 734.47 782.48 9.72 o
2 7 3 339.22 339.86 5.22 o
3 7 3 165.49 164.65 4.01 o
2 8 3 103.62 103.57 3.34 o
3 8 3 179.04 174.38 4.34 o
3 9 3 12.23 13.62 3.77 o
-4 0 4 403.82 420.96 5.74 o
-2 0 4 314.40 319.23 3.44 o
-5 1 4 707.33 671.55 13.95 o
-4 1 4 285.70 274.49 4.53 o
-3 1 4 2427.10 2439.09 14.78 o
-2 1 4 643.42 653.42 3.90 o
-1 1 4 5165.72 5216.19 18.50 o
-5 2 4 229.20 229.94 5.78 o
-4 2 4 467.46 465.04 6.92 o
-3 2 4 70.07 68.73 1.47 o
-2 2 4 216.27 204.46 3.27 o
-1 2 4 1.12 0.46 0.53 o
0 2 4 16.74 15.85 1.08 o
-5 3 4 217.84 210.64 5.59 o
-4 3 4 1196.41 1226.39 9.69 o
-3 3 4 740.48 763.86 8.90 o
-2 3 4 1965.57 1878.58 16.28 o
-1 3 4 711.70 718.08 6.73 o
0 3 4 1981.58 2019.58 9.90 o
1 3 4 758.29 728.53 8.71 o
-5 4 4 313.09 329.06 7.14 o
-4 4 4 8.55 7.88 1.50 o
-2 4 4 10.87 10.52 1.62 o
-1 4 4 49.25 46.84 1.45 o
0 4 4 5.65 4.99 1.17 o
1 4 4 113.79 112.31 2.51 o
-5 5 4 17.00 17.80 2.29 o
-1 5 4 42.66 43.27 1.82 o
0 5 4 3280.86 3132.12 28.46 o
1 5 4 43.28 38.53 1.53 o
2 5 4 1277.26 1295.41 13.94 o
0 6 4 5.55 4.57 1.31 o
1 6 4 81.22 78.93 2.11 o
2 6 4 4.98 3.52 1.09 o
0 7 4 568.58 564.30 11.40 o
1 7 4 613.76 621.35 7.73 o
2 7 4 344.03 343.64 5.55 o
3 7 4 360.27 366.75 7.72 o
1 8 4 9.35 10.32 2.34 o
2 8 4 43.96 48.44 2.45 o
3 8 4 42.22 34.90 5.50 o
2 9 4 4.54 6.85 2.56 o
-5 0 5 1047.12 964.00 14.86 o
-3 0 5 1083.52 1092.81 7.97 o
-5 1 5 28.91 29.75 2.11 o
-4 1 5 627.23 640.62 5.31 o
-3 1 5 38.45 36.19 1.17 o
-2 1 5 1592.73 1607.18 12.36 o
-1 1 5 201.40 215.80 4.38 o
-5 2 5 315.16 331.52 7.37 o
-4 2 5 304.22 304.26 6.83 o
-3 2 5 524.25 535.65 4.16 o
-2 2 5 537.74 523.26 5.92 o
-1 2 5 454.39 474.19 4.62 o
-5 3 5 157.33 154.07 7.40 o
-4 3 5 73.29 75.51 3.56 o
-3 3 5 799.73 740.46 10.02 o
-2 3 5 419.20 379.67 17.86 o
-1 3 5 1889.36 1895.05 9.33 o
0 3 5 797.35 831.08 8.83 o
-5 4 5 30.24 28.20 4.06 o
-2 4 5 560.73 584.72 13.45 o
-1 4 5 32.96 30.76 1.38 o
0 4 5 267.37 250.30 5.18 o
1 4 5 38.52 36.39 3.28 o
-2 5 5 33.71 35.87 3.69 o
-1 5 5 950.33 904.52 8.97 o
0 5 5 13.79 14.97 1.72 o
1 5 5 1083.85 1013.11 25.66 o
-1 6 5 61.70 60.56 3.29 o
0 6 5 88.95 86.20 3.50 o
1 6 5 0.62 0.30 1.75 o
2 6 5 6.92 6.21 2.25 o
0 7 5 505.17 525.05 11.72 o
1 7 5 349.62 343.17 10.26 o
2 7 5 283.13 278.19 9.83 o
0 8 5 12.48 12.94 6.39 o
1 8 5 33.40 35.43 4.13 o
-4 0 6 755.49 779.62 8.84 o
-5 1 6 13.03 13.66 2.16 o
-4 1 6 49.24 50.75 1.80 o
-3 1 6 155.56 158.86 2.70 o
-2 1 6 140.67 140.11 3.56 o
-5 2 6 300.18 305.96 10.76 o
-4 2 6 603.44 626.90 7.32 o
-3 2 6 378.48 373.78 5.82 o
-2 2 6 574.10 573.78 10.12 o
-1 2 6 265.44 280.97 5.92 o
-3 3 6 80.44 75.24 2.83 o
-2 3 6 211.16 208.94 4.26 o
-1 3 6 122.68 122.64 2.78 o
-3 4 6 755.73 745.48 17.38 o
-2 4 6 21.12 20.78 1.69 o
-1 4 6 704.21 710.49 7.59 o
0 4 6 37.44 38.50 2.56 o
-2 5 6 284.19 285.84 6.64 o
-1 5 6 6.43 4.33 1.48 o
0 5 6 630.43 621.37 9.32 o
-2 6 6 97.96 77.29 9.53 o
-1 6 6 455.07 487.06 8.74 o
0 6 6 110.65 108.65 4.27 o
1 6 6 114.65 117.64 5.41 o
-1 7 6 108.39 106.57 6.10 o
0 7 6 147.22 148.45 5.49 o
0 8 6 104.27 95.06 11.38 o
-4 1 7 2.37 10.94 3.47 o
-3 1 7 12.59 13.79 1.90 o
-3 2 7 456.16 453.30 7.05 o
-2 2 7 384.66 397.68 9.33 o
-3 3 7 3.48 0.52 2.25 o
-2 3 7 0.91 1.14 1.25 o
-3 4 7 15.09 16.64 2.09 o
-2 4 7 576.16 582.99 7.93 o
-1 4 7 26.43 21.41 4.23 o
-2 5 7 1.64 0.95 1.97 o
-1 5 7 45.68 38.89 4.21 o