#------------------------------------------------------------------------------
#$Date: 2022-11-10 04:38:44 +0200 (Thu, 10 Nov 2022) $
#$Revision: 279168 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109088.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_2109088
_cell_angle_alpha                90.000
_cell_angle_beta                 102.209
_cell_angle_gamma                90.000
_cell_length_a                   5.5292
_cell_length_b                   9.6336
_cell_length_c                   6.7597
_exptl_crystal_F_000             280.00
_reflns_d_resolution_high        0.7851
_cod_data_source_file            aw5073MIE_2.40GPasup13.hkl
_cod_data_source_block           MIE_2.40GPa
_shelx_title                     ' MIE_240GPa in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            102.91
_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 1240.95 1041.50 8.44 o
1 3 0 44.12 57.08 1.14 o
2 3 0 1519.35 1412.81 15.96 o
2 4 0 1411.21 1481.86 9.07 o
1 5 0 0.07 8.04 1.69 o
2 5 0 1292.87 1365.90 6.71 o
3 5 0 0.14 0.82 0.89 o
1 6 0 10590.15 11822.21 61.70 o
2 6 0 1493.48 1550.63 8.38 o
3 6 0 4355.26 4276.25 66.30 o
1 7 0 3.88 7.39 1.70 o
2 7 0 541.80 602.11 7.11 o
3 7 0 141.48 161.76 4.28 o
2 8 0 2833.26 2994.96 63.88 o
3 8 0 865.45 900.37 11.75 o
4 8 0 1433.82 1360.73 14.59 o
2 9 0 1.32 3.25 1.29 o
3 9 0 602.48 616.49 9.16 o
4 9 0 48.73 45.27 3.13 o
3 10 0 22.47 29.92 4.03 o
-1 1 1 1695.29 1580.34 17.34 o
1 1 1 128.35 135.56 3.53 o
-2 2 1 4620.42 3507.69 20.75 o
-2 3 1 3336.10 3434.87 35.79 o
0 3 1 1577.69 1016.60 66.52 o
1 3 1 1232.27 1376.17 10.30 o
2 3 1 48.28 60.67 3.21 o
-3 4 1 66.01 62.96 2.44 o
-1 4 1 681.10 745.95 12.23 o
1 4 1 1513.28 1672.87 8.30 o
-3 5 1 5090.90 4825.25 46.08 o
-2 5 1 1.19 4.15 0.77 o
-1 5 1 2327.79 2379.92 46.49 o
1 5 1 389.69 404.23 3.66 o
2 5 1 29.90 27.16 1.22 o
3 5 1 108.85 121.24 3.64 o
-3 6 1 243.29 261.58 4.20 o
-2 6 1 4676.32 4940.24 29.34 o
-1 6 1 825.32 751.17 30.44 o
1 6 1 1316.95 1331.13 8.77 o
2 6 1 6934.80 7045.61 18.82 o
3 6 1 754.14 781.04 20.25 o
-4 7 1 939.76 814.72 17.16 o
-3 7 1 1552.18 1628.20 9.67 o
-2 7 1 1300.66 1299.34 31.19 o
1 7 1 220.77 186.48 35.97 o
2 7 1 7.87 7.78 1.30 o
3 7 1 35.50 38.08 2.06 o
-4 8 1 84.95 103.72 4.61 o
-3 8 1 1462.52 1547.76 13.45 o
-2 8 1 788.32 831.42 26.09 o
2 8 1 1278.58 1410.78 11.27 o
3 8 1 2182.97 2352.84 33.24 o
-4 9 1 1061.15 1088.30 9.66 o
-3 9 1 200.86 228.16 4.34 o
-2 9 1 880.66 267.02 7.56 o
2 9 1 56.89 44.10 3.47 o
3 9 1 103.48 102.11 5.00 o
-4 10 1 29.44 31.38 5.13 o
-3 10 1 835.11 863.30 10.84 o
3 10 1 1583.27 1677.29 19.55 o
0 1 2 1707.53 1894.75 31.47 o
-2 2 2 2767.55 2539.04 12.66 o
1 2 2 3888.31 3801.28 58.33 o
-2 3 2 7112.32 6706.47 31.30 o
-1 3 2 2365.94 2383.09 27.46 o
0 3 2 3844.84 3745.36 18.80 o
1 3 2 1199.92 1256.50 26.38 o
2 3 2 1069.28 1073.15 20.30 o
-3 4 2 1245.73 1202.07 16.77 o
-2 4 2 723.74 781.66 12.67 o
-1 4 2 5553.28 5208.01 87.07 o
0 4 2 605.44 554.42 8.76 o
2 4 2 469.70 459.25 8.65 o
-3 5 2 19.54 19.76 1.27 o
-1 5 2 4.86 6.28 0.96 o
1 5 2 1.13 10.32 2.51 o
2 5 2 1280.84 1399.78 14.45 o
3 5 2 15.63 10.40 1.85 o
-3 6 2 767.56 816.15 13.05 o
-2 6 2 794.25 816.07 9.57 o
1 6 2 6184.71 6073.33 136.62 o
2 6 2 503.03 541.65 23.95 o
3 6 2 3806.24 3845.93 125.89 o
-4 7 2 2300.36 2133.36 31.93 o
-3 7 2 1434.83 1576.37 10.83 o
-2 7 2 2505.80 2740.41 15.98 o
1 7 2 992.71 978.35 22.97 o
2 7 2 238.12 277.12 5.21 o
3 7 2 288.60 289.60 8.92 o
-4 8 2 148.28 156.07 3.82 o
-3 8 2 117.51 123.24 2.86 o
-2 8 2 798.39 782.26 13.68 o
2 8 2 2139.60 2347.97 80.87 o
3 8 2 885.90 871.11 12.56 o
-4 9 2 113.10 109.45 3.16 o
-3 9 2 2010.19 2207.35 76.00 o
2 9 2 44.15 36.95 3.21 o
3 9 2 61.15 68.10 3.83 o
-4 10 2 64.58 59.08 6.47 o
-3 10 2 2.97 6.03 1.68 o
-1 0 3 2252.95 2471.37 36.70 o
-1 1 3 1496.52 1518.45 13.55 o
1 1 3 716.50 740.06 18.36 o
-2 2 3 71.41 88.73 1.81 o
-1 2 3 1767.93 1726.22 38.59 o
0 2 3 1910.67 1875.44 43.20 o
1 2 3 3541.38 3548.98 42.79 o
-3 3 3 7577.73 7445.53 469.00 o
-2 3 3 4780.99 4906.06 33.94 o
0 3 3 4952.62 4960.23 42.09 o
1 3 3 6522.94 6665.47 22.40 o
2 3 3 1114.13 1010.79 22.95 o
-3 4 3 107.56 119.10 4.06 o
-2 4 3 813.63 813.45 7.83 o
-1 4 3 48.87 58.84 1.35 o
0 4 3 2813.19 3021.46 34.43 o
1 4 3 741.40 786.95 4.83 o
2 4 3 3655.74 3545.11 34.94 o
-3 5 3 7265.26 6825.55 51.60 o
-2 5 3 18.88 45.31 2.45 o
-1 5 3 6751.25 5849.38 37.78 o
0 5 3 48.59 48.90 2.09 o
1 5 3 4350.57 4511.82 40.32 o
2 5 3 31.03 40.48 3.36 o
-4 6 3 50.12 44.84 3.24 o
-3 6 3 7.29 11.68 1.59 o
-2 6 3 257.04 291.76 5.25 o
1 6 3 473.94 497.32 4.76 o
2 6 3 2444.99 2440.73 24.53 o
3 6 3 380.18 347.02 7.60 o
-4 7 3 1159.73 1189.94 17.50 o
-3 7 3 2526.60 2628.07 15.86 o
-2 7 3 1987.42 2049.47 25.38 o
1 7 3 1919.09 1937.36 15.86 o
2 7 3 598.92 646.37 8.17 o
3 7 3 408.26 446.17 10.04 o
-4 8 3 29.06 33.56 3.46 o
-3 8 3 33.54 50.12 9.64 o
-2 8 3 20.95 15.09 3.77 o
1 8 3 918.19 885.14 11.66 o
2 8 3 506.91 578.69 10.52 o
3 8 3 822.99 818.20 10.42 o
-4 9 3 1516.63 1608.42 22.82 o
-3 9 3 89.53 112.22 5.85 o
2 9 3 980.17 977.55 12.13 o
3 9 3 1.49 15.63 3.16 o
-3 10 3 7.58 5.12 2.35 o
2 10 3 3.74 5.00 3.47 o
-2 0 4 298.76 313.11 7.18 o
0 0 4 372.22 401.35 10.75 o
-2 1 4 1528.55 1553.91 11.76 o
0 1 4 1375.70 1441.63 10.39 o
1 1 4 9001.51 9103.27 44.32 o
-2 2 4 177.87 173.82 2.41 o
-1 2 4 25.26 27.57 0.81 o
0 2 4 302.61 303.35 13.60 o
1 2 4 159.79 189.42 11.59 o
-3 3 4 2547.12 2514.59 69.67 o
-2 3 4 5702.52 5687.99 46.73 o
-1 3 4 2564.29 2426.88 82.68 o
0 3 4 5439.10 5464.81 33.14 o
1 3 4 2183.90 2144.91 27.70 o
2 3 4 3453.06 2123.51 23.95 o
-3 4 4 662.20 631.86 9.93 o
-2 4 4 3.36 7.07 1.03 o
-1 4 4 0.31 42.73 10.74 o
0 4 4 3.85 6.24 0.73 o
1 4 4 916.98 936.60 10.20 o
2 4 4 18.68 14.68 1.33 o
-3 5 4 7.55 27.69 6.25 o
-2 5 4 7454.45 7658.43 76.63 o
-1 5 4 2.09 2.76 1.07 o
0 5 4 8096.47 8003.66 45.01 o
1 5 4 14.43 11.80 1.13 o
2 5 4 3461.78 3525.38 35.85 o
-4 6 4 7.26 10.59 2.03 o
-3 6 4 358.65 414.16 9.10 o
-2 6 4 5.77 2.49 1.33 o
0 6 4 0.49 0.95 1.36 o
1 6 4 465.79 497.89 6.45 o
2 6 4 3.55 24.19 5.90 o
-4 7 4 1171.33 1175.29 14.82 o
-3 7 4 1503.57 1530.36 17.66 o
-2 7 4 1929.21 1941.03 73.40 o
1 7 4 1245.42 1277.32 28.71 o
2 7 4 1157.35 1269.29 10.56 o
3 7 4 643.10 533.51 16.82 o
-4 8 4 255.58 265.63 8.48 o
-3 8 4 76.62 90.45 4.00 o
1 8 4 90.00 90.14 4.44 o
2 8 4 296.74 313.52 6.66 o
3 8 4 218.10 194.75 7.04 o
-3 9 4 1327.93 1400.89 28.08 o
2 9 4 54.62 63.16 3.38 o
-1 0 5 582.54 620.07 4.28 o
-2 1 5 5625.03 5356.57 35.73 o
-1 1 5 654.63 697.32 6.47 o
0 1 5 6337.48 6120.40 56.84 o
1 1 5 768.60 699.56 22.08 o
-3 2 5 1444.69 1317.16 19.29 o
-2 2 5 842.22 847.07 7.14 o
-1 2 5 660.10 690.46 10.47 o
0 2 5 67.87 67.51 4.11 o
1 2 5 12.86 37.19 6.26 o
-3 3 5 2881.84 2732.08 80.54 o
-2 3 5 1835.27 1937.97 10.91 o
-1 3 5 5112.46 5121.83 19.37 o
0 3 5 2546.70 2621.49 34.08 o
1 3 5 4008.36 4090.54 34.78 o
-3 4 5 268.13 281.18 5.82 o
-2 4 5 974.47 1050.03 14.75 o
-1 4 5 59.41 61.38 3.78 o
0 4 5 215.48 229.19 8.54 o
1 4 5 50.60 60.19 3.10 o
2 4 5 20.58 15.28 1.72 o
-3 5 5 2570.28 2582.13 17.78 o
-2 5 5 30.60 31.81 1.88 o
0 5 5 11.36 13.66 1.87 o
1 5 5 3406.66 3616.77 16.67 o
2 5 5 1.59 6.12 1.55 o
-4 6 5 1256.21 1178.96 35.12 o
-3 6 5 179.17 181.32 3.84 o
-2 6 5 571.62 579.68 20.27 o
0 6 5 47.59 49.47 3.31 o
1 6 5 9.16 12.68 2.84 o
2 6 5 41.42 43.01 4.14 o
-4 7 5 313.42 320.67 11.52 o
-3 7 5 998.60 1053.49 9.44 o
-2 7 5 747.76 286.48 7.81 o
1 7 5 1373.20 1502.98 10.92 o
2 7 5 757.53 830.11 11.01 o
-4 8 5 203.29 217.70 9.37 o
-3 8 5 402.17 439.43 7.18 o
1 8 5 12.72 9.03 2.18 o
-2 0 6 3555.73 3538.08 62.86 o
0 0 6 1616.19 1641.96 26.53 o
-2 1 6 407.84 382.81 7.69 o
-1 1 6 3028.13 3042.80 22.17 o
0 1 6 263.28 294.86 22.17 o
-3 2 6 948.05 966.44 89.42 o
-2 2 6 1431.51 1514.57 16.22 o
-1 2 6 549.43 567.57 6.18 o
0 2 6 491.56 531.68 9.31 o
1 2 6 235.14 248.60 10.74 o
-3 3 6 427.72 421.42 9.34 o
-2 3 6 1140.02 1166.13 10.16 o
-1 3 6 706.13 750.47 15.54 o
0 3 6 1855.44 1923.03 23.81 o
1 3 6 802.55 757.94 30.78 o
-3 4 6 2162.09 2013.22 33.32 o
-2 4 6 137.89 141.41 3.72 o
-1 4 6 1364.52 662.81 95.35 o
0 4 6 89.62 101.72 3.49 o
1 4 6 272.85 303.43 4.73 o
-3 5 6 1.02 2.83 2.39 o
-2 5 6 1460.46 1433.47 56.23 o
0 5 6 2382.70 2430.66 57.18 o
1 5 6 6.36 45.36 8.46 o
2 5 6 1574.19 1218.28 27.34 o
-4 6 6 165.33 174.07 9.30 o
-3 6 6 1345.05 1490.08 19.36 o
-2 6 6 140.99 133.82 28.11 o
0 6 6 132.23 122.12 4.01 o
1 6 6 207.46 221.06 5.20 o
2 6 6 65.89 57.83 3.12 o
-4 7 6 88.25 78.93 7.39 o
-3 7 6 360.07 327.49 7.39 o
1 7 6 355.91 369.07 9.87 o
-1 0 7 1628.73 1669.58 28.13 o
-2 1 7 431.43 435.30 9.24 o
-1 1 7 82.81 85.93 2.01 o
0 1 7 921.13 896.97 9.48 o
-3 2 7 1711.74 1508.60 36.98 o
-2 2 7 989.28 1032.61 19.79 o
-1 2 7 1606.64 1681.82 24.54 o
0 2 7 603.03 639.61 6.95 o
-3 3 7 122.66 113.75 3.93 o
-2 3 7 91.20 93.18 3.44 o
-1 3 7 461.40 453.03 24.84 o
0 3 7 375.58 386.91 6.62 o
1 3 7 628.17 657.35 12.57 o
-3 4 7 117.43 125.17 4.11 o
-2 4 7 1686.68 1870.90 26.36 o
0 4 7 1056.64 1107.09 17.44 o
1 4 7 22.32 37.04 4.45 o
-3 5 7 104.15 104.55 5.69 o
-2 5 7 3.71 2.86 1.74 o
0 5 7 0.02 1.35 1.55 o
1 5 7 723.59 669.27 16.90 o
0 6 7 537.11 480.54 19.49 o
-2 0 8 2041.91 1969.61 73.48 o
-2 1 8 4.74 5.75 2.36 o
-1 1 8 50.74 58.36 2.37 o
0 1 8 1.26 4.36 1.79 o
-2 2 8 839.51 875.98 11.28 o
-1 2 8 455.23 464.98 7.45 o
0 2 8 656.37 690.47 11.68 o
-2 3 8 4.61 10.45 3.15 o
-1 3 8 24.36 28.58 2.57 o
0 3 8 124.56 108.05 6.02 o