#------------------------------------------------------------------------------
#$Date: 2022-11-10 04:38:44 +0200 (Thu, 10 Nov 2022) $
#$Revision: 279168 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109090.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_2109090
_cell_angle_alpha                90.000
_cell_angle_beta                 102.191
_cell_angle_gamma                90.000
_cell_length_a                   5.4335
_cell_length_b                   9.4863
_cell_length_c                   6.5840
_exptl_crystal_F_000             280.00
_reflns_d_resolution_high        0.7948
_cod_data_source_file            aw5073MIE_3.62GPasup15.hkl
_cod_data_source_block           MIE_3.62GPa
_shelx_title                     ' MIE_362GPa in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            110.58
_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 3 0 48.68 62.06 3.42 o
2 3 0 1460.81 1382.19 14.82 o
2 4 0 1797.16 1860.34 11.43 o
1 5 0 0.43 6.58 0.95 o
2 5 0 1365.05 1329.04 10.50 o
3 5 0 1.81 4.89 1.54 o
2 6 0 1368.03 1345.72 6.24 o
3 6 0 5909.89 6288.76 21.56 o
1 7 0 4.93 14.20 2.70 o
2 7 0 627.59 628.05 5.37 o
3 7 0 125.48 132.51 3.52 o
2 8 0 3663.10 3551.39 23.54 o
3 8 0 1424.62 1370.74 14.93 o
2 9 0 10.61 12.07 1.82 o
3 9 0 831.61 865.02 9.69 o
2 10 0 3310.88 2713.69 24.01 o
3 10 0 3.20 25.57 10.24 o
-1 1 1 1586.95 1608.16 14.04 o
-2 2 1 4628.60 4524.24 13.73 o
-2 3 1 3727.38 3718.09 19.56 o
0 3 1 1888.58 1869.57 8.34 o
1 3 1 1389.86 1490.64 13.56 o
-3 4 1 145.09 127.05 15.87 o
-1 4 1 1010.73 1000.21 5.25 o
1 4 1 1986.53 1957.37 16.85 o
-3 5 1 5657.06 5823.52 54.54 o
-2 5 1 8.19 13.55 1.14 o
-1 5 1 2716.35 2858.75 23.53 o
0 5 1 12.63 11.97 6.11 o
1 5 1 533.54 555.20 19.77 o
2 5 1 27.07 22.58 1.08 o
-3 6 1 215.92 210.34 4.55 o
-2 6 1 5675.76 6071.56 17.61 o
-1 6 1 762.88 752.36 36.98 o
1 6 1 1265.48 1287.29 7.35 o
3 6 1 747.68 741.56 9.22 o
-3 7 1 2189.03 2152.28 26.39 o
-2 7 1 1421.03 1429.59 9.47 o
1 7 1 350.33 341.07 4.60 o
2 7 1 5.20 7.45 0.91 o
3 7 1 30.41 23.01 2.78 o
-4 8 1 223.54 215.80 5.53 o
-3 8 1 1932.58 1881.97 21.89 o
-2 8 1 1402.83 1447.42 13.58 o
1 8 1 4777.33 4753.62 42.61 o
2 8 1 2197.54 2166.97 15.66 o
3 8 1 2903.74 2922.32 29.73 o
-4 9 1 1567.85 1754.49 19.86 o
-3 9 1 379.98 372.23 11.88 o
-2 9 1 1283.96 1210.35 13.81 o
2 9 1 112.68 99.19 5.06 o
3 9 1 106.16 112.43 4.01 o
-3 10 1 1468.53 1456.00 52.33 o
2 10 1 1.34 3.89 2.83 o
3 10 1 2672.64 2763.08 33.27 o
-2 1 2 1283.39 1178.38 7.54 o
0 1 2 1697.35 1808.91 9.94 o
-2 2 2 2968.94 2992.18 8.00 o
-1 2 2 4167.34 4260.06 19.02 o
1 2 2 3761.52 3816.71 11.81 o
-1 3 2 2744.50 2812.12 15.69 o
0 3 2 4229.64 4399.40 20.81 o
1 3 2 1432.28 1546.14 17.39 o
-3 4 2 1312.44 1405.33 8.19 o
-2 4 2 832.09 872.01 4.37 o
-1 4 2 5668.69 5703.99 25.07 o
0 4 2 763.07 795.33 7.32 o
2 4 2 634.40 625.97 5.78 o
-3 5 2 1.96 14.37 2.53 o
-1 5 2 4.77 16.45 2.92 o
1 5 2 5.79 19.15 4.06 o
2 5 2 1780.89 1833.92 8.86 o
-3 6 2 1074.24 1040.39 10.45 o
-2 6 2 759.38 739.16 11.61 o
0 6 2 569.78 517.53 12.03 o
1 6 2 7424.77 7258.00 63.98 o
2 6 2 421.07 424.80 9.60 o
-4 7 2 3341.07 3260.06 24.94 o
-3 7 2 1644.07 1694.11 19.85 o
-2 7 2 3553.18 3570.45 45.74 o
1 7 2 1200.62 1082.82 7.33 o
2 7 2 493.30 467.97 7.21 o
3 7 2 421.29 424.23 10.80 o
-4 8 2 219.65 235.05 7.66 o
-3 8 2 197.25 195.57 3.44 o
-2 8 2 1002.00 1005.61 8.62 o
1 8 2 1145.37 1184.77 8.96 o
2 8 2 2744.30 2804.74 26.26 o
3 8 2 1411.98 1420.60 32.63 o
-4 9 2 268.82 277.67 10.28 o
-3 9 2 2904.67 2980.53 22.29 o
1 9 2 962.00 864.69 12.83 o
2 9 2 90.39 98.24 4.46 o
3 9 2 125.63 135.93 5.56 o
-3 10 2 0.15 8.54 6.87 o
2 10 2 2397.10 2540.84 23.18 o
-1 0 3 2107.21 2237.08 14.75 o
-1 1 3 1477.52 1499.29 6.36 o
-2 2 3 54.17 57.65 2.77 o
-1 2 3 1575.58 1550.06 8.88 o
0 2 3 1716.50 1768.20 11.62 o
1 2 3 3484.09 3311.86 19.55 o
-3 3 3 8333.67 8601.97 42.47 o
-2 3 3 5647.62 6089.92 29.55 o
-1 3 3 12227.96 11853.95 55.42 o
-3 4 3 110.77 111.00 1.88 o
-2 4 3 798.28 773.09 21.50 o
-1 4 3 75.77 84.01 4.26 o
0 4 3 2789.30 2881.38 17.76 o
1 4 3 850.78 834.34 7.18 o
-3 5 3 8594.26 8346.18 42.22 o
-2 5 3 1.74 29.15 5.86 o
0 5 3 21.26 31.57 3.15 o
1 5 3 5527.25 5782.07 22.15 o
2 5 3 14.02 27.60 5.07 o
-4 6 3 67.82 62.32 2.46 o
-3 6 3 10.84 19.99 2.50 o
-2 6 3 260.24 393.86 49.29 o
0 6 3 1626.31 1730.05 13.90 o
1 6 3 452.19 445.19 5.55 o
2 6 3 2944.91 2755.07 17.60 o
-4 7 3 1389.71 1436.04 12.29 o
-3 7 3 3646.93 3760.84 20.25 o
-2 7 3 2243.83 2276.57 19.49 o
0 7 3 1949.57 1685.56 20.24 o
1 7 3 2929.16 2909.79 25.31 o
2 7 3 760.09 769.70 6.93 o
-4 8 3 36.06 62.73 12.31 o
-3 8 3 33.03 33.97 2.75 o
1 8 3 1077.50 1116.22 9.06 o
2 8 3 794.14 1061.28 67.57 o
-4 9 3 2445.73 2487.74 41.54 o
-3 9 3 267.09 269.21 9.50 o
1 9 3 135.51 135.03 3.77 o
2 9 3 1611.28 1607.94 10.48 o
2 10 3 16.39 23.25 4.62 o
-2 0 4 484.02 461.01 6.94 o
0 0 4 194.00 208.65 2.67 o
-2 1 4 1596.78 1588.42 9.23 o
0 1 4 1403.21 1358.34 25.33 o
-3 2 4 143.18 136.32 4.39 o
-2 2 4 247.42 244.16 5.06 o
-1 2 4 7.56 8.63 0.54 o
0 2 4 225.34 224.40 3.77 o
-3 3 4 3007.59 2997.11 24.94 o
-2 3 4 6064.73 6306.09 23.68 o
-1 3 4 3080.29 3121.30 16.51 o
0 3 4 6064.01 5847.88 60.59 o
1 3 4 2662.84 2440.45 11.20 o
-3 4 4 866.00 837.53 11.53 o
-2 4 4 0.19 5.56 1.44 o
-1 4 4 8.51 43.57 9.93 o
0 4 4 1.05 3.61 0.77 o
1 4 4 811.83 759.77 12.46 o
-4 5 4 4020.43 3918.02 24.59 o
-3 5 4 0.01 13.61 2.79 o
-2 5 4 8930.40 9199.39 45.34 o
-1 5 4 5.02 7.34 4.78 o
0 5 4 9779.59 8485.39 44.15 o
1 5 4 0.00 16.98 4.49 o
-4 6 4 8.62 12.85 1.67 o
-3 6 4 545.58 564.68 10.02 o
-2 6 4 3.85 11.51 2.38 o
0 6 4 0.04 4.17 1.21 o
1 6 4 431.28 444.70 4.18 o
2 6 4 0.38 2.91 1.97 o
-4 7 4 1819.46 1781.47 11.28 o
-3 7 4 1834.29 1879.06 20.21 o
-2 7 4 2964.27 2940.69 26.70 o
0 7 4 2967.99 3060.22 17.84 o
1 7 4 1534.09 1492.83 9.77 o
2 7 4 1915.45 1800.10 18.89 o
-4 8 4 343.04 373.45 10.16 o
-3 8 4 146.95 156.69 4.66 o
1 8 4 120.50 111.45 2.70 o
2 8 4 330.73 334.68 4.49 o
-3 9 4 1958.10 1921.22 21.85 o
1 9 4 2243.26 2251.66 40.85 o
2 9 4 151.27 151.95 3.82 o
-1 0 5 828.08 853.06 7.14 o
-3 1 5 233.33 227.38 3.80 o
-2 1 5 6064.79 6087.85 34.60 o
-1 1 5 673.63 682.32 8.02 o
0 1 5 7016.11 7132.89 25.08 o
-3 2 5 1907.32 1907.54 19.84 o
-2 2 5 1025.10 1004.79 9.09 o
-1 2 5 1024.92 1009.25 8.46 o
0 2 5 135.31 147.99 2.46 o
-3 3 5 3224.82 3111.30 62.97 o
-2 3 5 2178.83 2137.31 10.49 o
-1 3 5 5547.62 5563.59 29.60 o
0 3 5 3115.46 3040.17 10.92 o
-4 4 5 2255.45 2036.91 15.75 o
-3 4 5 383.91 349.24 7.66 o
-2 4 5 1374.56 1400.42 8.83 o
-1 4 5 101.97 95.52 2.35 o
0 4 5 382.40 388.36 3.76 o
1 4 5 28.44 29.61 2.18 o
-4 5 5 11.86 19.76 2.07 o
-3 5 5 3134.01 3019.52 19.34 o
-2 5 5 11.03 13.80 1.38 o
-1 5 5 4479.15 4704.01 18.64 o
0 5 5 1.75 5.93 1.34 o
1 5 5 4377.51 4312.20 47.52 o
-4 6 5 1810.37 1793.67 14.98 o
-3 6 5 187.93 190.92 5.63 o
-2 6 5 916.21 939.24 25.81 o
0 6 5 138.22 133.94 3.31 o
1 6 5 3.88 37.72 4.51 o
-4 7 5 360.21 357.54 5.63 o
-3 7 5 1429.30 1424.91 17.04 o
0 7 5 1387.78 1438.51 15.56 o
1 7 5 2164.41 2219.06 15.70 o
-3 8 5 661.64 696.44 10.46 o
0 8 5 88.03 76.46 3.96 o
1 8 5 34.17 39.84 3.11 o
-2 0 6 4612.44 4504.94 18.29 o
-3 1 6 1195.33 1179.75 30.86 o
-2 1 6 425.74 402.02 4.20 o
-1 1 6 3253.30 3168.39 17.27 o
-3 2 6 1184.75 1136.32 25.10 o
-2 2 6 1891.52 1836.98 15.61 o
-1 2 6 731.05 694.34 5.68 o
0 2 6 763.94 730.99 33.06 o
-3 3 6 494.52 474.33 4.74 o
-2 3 6 1207.93 1165.52 12.82 o
-1 3 6 860.62 842.15 5.73 o
0 3 6 2109.95 2081.89 11.45 o
-4 4 6 306.04 294.94 5.83 o
-3 4 6 2812.43 2720.74 16.78 o
-2 4 6 257.45 264.62 5.82 o
-1 4 6 1939.50 1929.05 16.08 o
0 4 6 165.28 161.58 3.20 o
-4 5 6 435.48 444.75 7.28 o
-3 5 6 0.02 4.81 1.86 o
-1 5 6 0.12 5.40 1.90 o
0 5 6 2884.28 2800.30 34.23 o
1 5 6 0.43 7.29 2.29 o
-3 6 6 2159.63 2203.09 25.72 o
-1 6 6 1636.20 1710.17 27.54 o
0 6 6 142.43 148.49 3.10 o
1 6 6 451.79 445.24 7.83 o
0 7 6 1106.10 1170.04 15.82 o
-3 0 7 3160.01 3186.84 24.30 o
-1 0 7 2232.56 2238.40 17.97 o
-3 1 7 2.05 16.89 6.91 o
-2 1 7 403.75 375.61 5.42 o
-1 1 7 82.17 81.53 3.07 o
-3 2 7 2336.84 2212.16 24.60 o
-2 2 7 1245.73 1266.80 9.15 o
-1 2 7 2261.03 2232.80 18.25 o
-4 3 7 1.57 3.21 4.68 o
-3 3 7 99.87 107.16 8.05 o
-2 3 7 81.06 77.52 2.94 o
-1 3 7 452.07 434.18 17.71 o
0 3 7 419.47 371.20 11.17 o
-4 4 7 2316.65 2263.70 37.27 o
-3 4 7 200.40 205.36 3.86 o
-2 4 7 2425.10 3154.81 94.80 o
-1 4 7 197.88 206.36 5.19 o
0 4 7 1571.79 1578.56 27.47 o
-3 5 7 99.28 99.30 5.57 o
-1 5 7 563.74 603.69 13.60 o
0 5 7 1.19 9.67 2.47 o
-1 6 7 158.58 184.41 7.93 o
0 6 7 980.11 1049.25 21.47 o
-2 0 8 2744.99 2914.88 35.32 o
-2 1 8 1.20 3.24 1.64 o
-1 1 8 21.91 14.37 4.28 o
-2 2 8 1214.30 1307.26 23.08 o