#------------------------------------------------------------------------------
#$Date: 2022-11-10 04:38:44 +0200 (Thu, 10 Nov 2022) $
#$Revision: 279168 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109089.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_2109089
_cell_angle_alpha                90.000
_cell_angle_beta                 102.280
_cell_angle_gamma                90.000
_cell_length_a                   5.4696
_cell_length_b                   9.5403
_cell_length_c                   6.6492
_exptl_crystal_F_000             280.00
_reflns_d_resolution_high        0.7861
_cod_data_source_file            aw5073MIE_3.18GPasup14.hkl
_cod_data_source_block           MIE_3.18GPa
_shelx_title                     ' MIE_318GPa in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            97.57
_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 1115.31 908.31 7.05 o
1 3 0 43.22 69.50 5.51 o
2 3 0 1345.29 1239.08 16.29 o
2 4 0 1530.13 1596.92 21.68 o
1 5 0 0.01 4.90 1.30 o
2 5 0 1272.25 1254.12 14.25 o
3 5 0 0.25 3.64 1.35 o
2 6 0 1324.32 1387.64 16.40 o
3 6 0 4734.48 4876.46 25.37 o
1 7 0 5.05 7.89 1.76 o
2 7 0 530.08 562.70 7.86 o
3 7 0 115.85 129.95 7.59 o
2 8 0 3068.95 3002.83 19.49 o
3 8 0 1017.18 1182.48 15.75 o
4 8 0 1438.54 1385.43 42.53 o
2 9 0 2.97 5.10 1.45 o
3 9 0 622.38 663.59 10.70 o
4 9 0 54.46 58.61 2.97 o
3 10 0 6.63 6.39 2.28 o
-1 1 1 1569.13 1651.81 7.79 o
-3 3 1 4074.34 3626.08 19.73 o
-2 3 1 3413.04 3593.53 30.05 o
0 3 1 1777.14 1944.78 45.91 o
1 3 1 1281.33 1381.86 10.52 o
-3 4 1 101.69 104.55 3.80 o
-1 4 1 840.83 796.16 17.25 o
1 4 1 1760.00 1795.68 9.31 o
-3 5 1 4755.57 5141.44 18.29 o
-2 5 1 2.05 29.63 4.16 o
-1 5 1 2447.63 1928.06 149.12 o
0 5 1 16.41 20.60 1.89 o
1 5 1 479.90 472.97 7.06 o
2 5 1 27.31 23.19 1.03 o
-4 6 1 1542.35 1454.23 13.68 o
-3 6 1 207.05 207.27 6.07 o
-2 6 1 4980.11 5177.72 45.23 o
1 6 1 1254.94 1319.23 6.90 o
2 6 1 7364.23 7300.42 38.21 o
3 6 1 680.76 611.52 6.55 o
-4 7 1 892.64 891.34 11.42 o
-3 7 1 1679.43 1719.14 14.70 o
-2 7 1 1269.67 1357.80 40.76 o
1 7 1 292.97 314.50 3.94 o
2 7 1 5.79 10.10 2.33 o
3 7 1 25.19 27.61 3.58 o
-4 8 1 139.62 150.97 4.50 o
-3 8 1 1513.16 1495.91 12.84 o
-2 8 1 1058.73 896.64 24.36 o
1 8 1 4282.36 3498.82 225.90 o
2 8 1 1650.02 1786.49 25.79 o
3 8 1 2312.71 2288.19 21.67 o
-4 9 1 1077.30 1145.90 12.03 o
-3 9 1 248.44 260.08 6.85 o
2 9 1 76.55 69.69 3.97 o
3 9 1 86.88 96.80 6.20 o
-3 10 1 1020.31 835.45 109.63 o
2 10 1 5.92 19.00 13.95 o
3 10 1 1836.80 1786.45 26.57 o
-2 1 2 1238.11 1310.48 17.00 o
0 1 2 1687.20 1673.20 17.43 o
-3 2 2 1341.94 1411.22 9.83 o
-2 2 2 2797.88 2929.93 23.89 o
-1 2 2 4141.51 3922.08 14.18 o
-3 3 2 3544.73 3606.69 16.59 o
-1 3 2 2507.25 2646.20 122.57 o
0 3 2 4044.76 4247.78 20.30 o
1 3 2 1287.89 1266.53 10.24 o
-4 4 2 110.03 111.87 3.64 o
-3 4 2 1206.07 1286.75 18.40 o
-2 4 2 780.07 808.13 8.87 o
-1 4 2 5657.77 4147.14 147.92 o
0 4 2 690.33 696.80 28.24 o
-4 5 2 4710.09 4736.31 76.13 o
-3 5 2 5.55 16.00 1.87 o
-2 5 2 9519.31 10731.70 50.17 o
1 5 2 1.15 2.45 0.74 o
2 5 2 1496.16 1396.48 9.04 o
-4 6 2 215.13 216.67 5.83 o
-3 6 2 863.92 900.81 7.55 o
-2 6 2 735.43 611.03 21.50 o
0 6 2 624.94 679.16 8.64 o
1 6 2 6682.14 6306.87 281.98 o
2 6 2 451.62 401.58 11.83 o
-4 7 2 2343.02 2393.19 27.48 o
-3 7 2 1414.48 1459.70 23.92 o
-2 7 2 2869.71 2425.75 17.63 o
0 7 2 1619.30 1452.97 160.85 o
1 7 2 1061.14 1035.94 19.73 o
2 7 2 365.33 371.46 8.63 o
-4 8 2 162.93 157.82 12.66 o
-3 8 2 148.87 147.03 4.05 o
1 8 2 896.54 975.29 18.88 o
2 8 2 2257.63 2351.20 14.89 o
3 8 2 999.62 905.53 31.96 o
-4 9 2 151.89 166.85 6.17 o
-3 9 2 2165.58 1968.46 41.68 o
1 9 2 762.99 751.69 21.96 o
2 9 2 68.49 71.27 2.38 o
3 9 2 92.37 98.33 6.06 o
2 10 2 1830.25 1877.21 19.37 o
-3 0 3 60.50 78.99 3.77 o
-1 0 3 2223.27 2155.10 18.34 o
-3 1 3 1057.57 1078.29 31.92 o
-1 1 3 1475.66 1472.35 13.16 o
-4 2 3 43.70 41.15 2.17 o
-3 2 3 61.26 120.51 20.57 o
-2 2 3 67.06 71.96 2.48 o
-1 2 3 1640.39 1659.69 14.47 o
0 2 3 1820.47 1840.54 25.22 o
-4 3 3 1992.90 2004.88 12.94 o
-3 3 3 7427.39 7441.32 35.11 o
-2 3 3 5115.06 4577.08 158.10 o
0 3 3 5584.70 5442.84 205.35 o
-4 4 3 11.17 75.17 23.30 o
-3 4 3 100.05 100.34 2.81 o
-2 4 3 753.18 718.13 12.20 o
-1 4 3 60.29 81.99 5.15 o
0 4 3 2749.81 2825.92 32.76 o
1 4 3 763.41 736.76 37.83 o
-4 5 3 2.33 42.36 13.92 o
-3 5 3 7239.13 7633.48 176.14 o
-2 5 3 9.81 20.94 2.95 o
-1 5 3 7383.80 8606.73 135.14 o
0 5 3 29.20 44.75 4.10 o
1 5 3 4960.41 4961.13 56.45 o
-5 6 3 7.00 10.13 1.88 o
-4 6 3 42.00 70.59 9.60 o
-3 6 3 10.25 11.96 1.20 o
-1 6 3 68.65 50.51 2.61 o
0 6 3 1563.10 1610.68 21.51 o
1 6 3 438.83 451.84 6.61 o
2 6 3 2533.72 2179.18 29.01 o
-5 7 3 1086.53 1081.83 39.35 o
-4 7 3 1063.27 1015.06 10.61 o
-3 7 3 2826.28 2778.33 18.55 o
0 7 3 1840.62 1900.51 33.82 o
1 7 3 2421.65 2526.62 27.45 o
2 7 3 682.31 637.86 12.75 o
-5 8 3 22.92 23.56 3.38 o
-4 8 3 23.04 26.19 2.20 o
0 8 3 408.71 425.89 8.29 o
1 8 3 1019.41 984.43 10.01 o
2 8 3 617.68 780.05 63.32 o
1 9 3 75.04 93.09 2.70 o
2 9 3 1198.65 1245.22 26.99 o
1 10 3 612.75 674.41 12.16 o
2 10 3 8.20 13.39 1.94 o
-2 0 4 407.18 402.08 8.17 o
-4 1 4 795.13 809.33 30.29 o
-3 1 4 8013.34 7830.69 180.14 o
-2 1 4 1548.05 1547.70 14.98 o
-4 2 4 991.03 1024.40 7.53 o
-3 2 4 114.22 109.49 3.78 o
-2 2 4 193.93 207.73 4.22 o
-1 2 4 13.31 12.36 0.93 o
0 2 4 251.75 244.25 22.09 o
-4 3 4 3255.81 3244.49 65.65 o
-3 3 4 2584.05 2651.48 17.32 o
-2 3 4 5699.59 5818.40 116.68 o
-1 3 4 2865.80 2898.11 26.10 o
0 3 4 5825.08 5869.27 58.22 o
-5 4 4 931.58 738.90 11.06 o
-4 4 4 40.77 54.65 4.73 o
-3 4 4 687.48 708.79 5.05 o
-2 4 4 1.25 9.82 1.44 o
-1 4 4 0.51 33.65 7.48 o
0 4 4 2.58 4.50 1.32 o
-5 5 4 6.42 16.37 2.16 o
-4 5 4 3149.84 3393.47 42.90 o
-3 5 4 0.34 4.96 1.44 o
-1 5 4 0.15 5.48 1.50 o
0 5 4 9187.46 9164.03 33.70 o
1 5 4 4.72 4.13 1.89 o
-5 6 4 569.81 628.65 9.49 o
-4 6 4 5.72 11.89 1.43 o
-3 6 4 421.47 390.99 16.14 o
-1 6 4 7.59 8.79 1.55 o
0 6 4 0.66 5.95 1.78 o
1 6 4 431.22 422.63 12.42 o
-5 7 4 634.08 605.49 11.23 o
-4 7 4 1283.06 1278.86 28.22 o
-1 7 4 1798.22 1521.35 106.19 o
0 7 4 2438.61 2438.66 28.35 o
1 7 4 1329.69 1342.93 33.74 o
-4 8 4 257.63 266.09 6.53 o
0 8 4 60.18 71.08 3.53 o
1 8 4 100.76 106.88 2.84 o
0 9 4 161.11 171.87 6.46 o
1 9 4 1813.28 1944.37 36.39 o
2 9 4 102.55 103.89 4.32 o
1 10 4 3.35 2.74 3.00 o
-3 0 5 2435.19 2548.85 20.99 o
-4 1 5 2472.89 2314.09 94.31 o
-3 1 5 214.43 222.82 4.36 o
-2 1 5 5838.45 5930.40 34.01 o
-1 1 5 682.08 756.48 24.76 o
-4 2 5 888.42 907.49 10.76 o
-3 2 5 1590.44 1617.12 28.12 o
-2 2 5 926.67 913.96 18.06 o
-1 2 5 890.18 883.59 11.05 o
-5 3 5 728.82 715.99 11.77 o
-4 3 5 531.10 548.75 15.12 o
-3 3 5 2916.87 3023.23 25.84 o
-2 3 5 1982.99 2026.14 42.75 o
-1 3 5 5480.94 5509.28 49.15 o
-5 4 5 190.05 213.62 4.89 o
-4 4 5 1724.19 1777.92 28.29 o
-3 4 5 308.19 299.79 3.97 o
-2 4 5 1198.73 1216.04 28.60 o
-1 4 5 86.76 86.99 2.18 o
0 4 5 321.14 317.27 19.65 o
-5 5 5 828.24 825.08 10.68 o
-4 5 5 15.61 19.74 1.67 o
-2 5 5 19.09 19.76 1.78 o
-1 5 5 4035.01 4344.02 17.65 o
0 5 5 3.16 9.14 1.80 o
-5 6 5 115.68 126.70 8.88 o
-4 6 5 1305.02 1309.66 35.91 o
-2 6 5 669.23 407.84 9.15 o
-1 6 5 63.39 66.36 2.47 o
0 6 5 86.58 108.67 3.73 o
-1 7 5 2168.16 2173.95 40.65 o
0 7 5 1354.82 1345.71 35.34 o
1 7 5 1817.21 1679.12 17.95 o
-1 8 5 278.79 225.81 21.28 o
0 8 5 62.26 60.25 3.75 o
1 8 5 21.98 26.05 2.88 o
0 9 5 1524.02 1733.43 20.83 o
-4 0 6 2957.21 3090.47 49.57 o
-2 0 6 4228.37 4228.15 25.56 o
-5 1 6 141.82 82.28 6.60 o
-4 1 6 193.66 187.89 3.86 o
-3 1 6 1115.41 1164.87 12.03 o
-2 1 6 428.14 407.30 15.39 o
-5 2 6 910.78 913.70 41.72 o
-4 2 6 1975.53 1807.41 97.57 o
-3 2 6 1030.93 1032.41 11.19 o
-2 2 6 1640.64 1640.22 12.88 o
-5 3 6 46.49 45.00 2.36 o
-4 3 6 293.31 326.06 13.22 o
-3 3 6 460.55 425.11 19.58 o
-2 3 6 1173.34 1234.46 16.51 o
-1 3 6 833.48 787.54 9.29 o
-5 4 6 1561.84 1580.42 18.52 o
-4 4 6 215.09 235.31 7.64 o
-3 4 6 2329.67 2351.22 72.35 o
-2 4 6 193.76 193.40 4.20 o
-1 4 6 1707.60 1745.57 16.37 o
-4 5 6 368.89 370.62 7.81 o
-3 5 6 0.05 0.00 3.80 o
-2 5 6 1599.39 1696.76 17.81 o
-1 5 6 0.44 5.44 2.18 o
-2 6 6 154.72 171.23 5.97 o
-1 6 6 1408.37 1406.51 14.85 o
0 6 6 138.05 139.01 5.35 o
-2 7 6 471.76 214.18 21.78 o
-1 7 6 478.18 485.44 6.96 o
0 7 6 899.12 947.39 26.55 o
-1 8 6 108.52 117.61 7.07 o
-3 0 7 2700.81 2644.31 24.16 o
-5 1 7 10.99 12.39 5.03 o
-4 1 7 15.48 17.41 2.36 o
-3 1 7 2.27 5.26 1.49 o
-4 2 7 703.19 708.59 26.42 o
-3 2 7 2010.91 2048.60 14.73 o
-2 2 7 1155.92 1042.15 23.64 o
-4 3 7 0.51 4.98 1.58 o
-3 3 7 110.58 117.50 4.76 o
-2 3 7 75.01 79.43 3.35 o
-3 4 7 145.26 157.00 5.75 o
-2 4 7 2115.33 2190.75 31.19 o
-3 5 7 98.66 138.07 9.61 o
-2 5 7 1.16 3.70 3.10 o
-1 5 7 535.26 529.77 33.89 o
-1 6 7 149.02 155.29 11.23 o