#------------------------------------------------------------------------------
#$Date: 2019-11-20 08:09:12 +0200 (Wed, 20 Nov 2019) $
#$Revision: 231083 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/55/29/1552941.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_1552941
_cell_angle_alpha                90.000
_cell_angle_beta                 96.773
_cell_angle_gamma                90.000
_cell_length_a                   10.1385
_cell_length_b                   11.3502
_cell_length_c                   17.8151
_exptl_crystal_F_000             1496.00
_reflns_d_resolution_high        0.8296
_cod_data_source_file            lh4048Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' Entegris14_a.res in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            472.90
_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
2 0 0 2257.40 1961.74 72.09 o
4 0 0 40164.41 39494.90 722.32 o
6 0 0 10438.52 10954.33 303.00 o
8 0 0 215.54 176.16 194.03 o
10 0 0 4160.70 3987.30 574.43 o
12 0 0 9.38 186.37 314.02 o
1 1 0 17190.30 18433.61 222.80 o
2 1 0 567.51 846.55 64.12 o
3 1 0 26349.25 27815.40 493.23 o
4 1 0 17891.83 18284.80 273.14 o
5 1 0 275.59 236.97 37.56 o
6 1 0 1210.03 1223.43 99.64 o
7 1 0 29997.77 30266.35 574.07 o
8 1 0 2487.24 2883.04 454.64 o
9 1 0 486.12 563.29 201.23 o
10 1 0 24078.64 26331.30 876.22 o
11 1 0 8389.58 9208.40 567.73 o
12 1 0 193.94 33.17 297.43 o
0 2 0 1449.82 1883.87 89.36 o
1 2 0 2513.89 2371.30 55.96 o
2 2 0 4365.13 4820.26 122.08 o
3 2 0 0.81 108.24 141.65 o
4 2 0 1794.63 1536.60 100.47 o
5 2 0 2579.47 3351.06 167.90 o
6 2 0 20099.64 20941.59 338.45 o
7 2 0 3159.32 3868.03 467.07 o
8 2 0 2459.29 2991.69 223.90 o
9 2 0 5025.55 5324.38 407.22 o
10 2 0 2308.21 2543.20 409.76 o
11 2 0 1556.76 1649.69 304.69 o
12 2 0 6.43 41.51 349.76 o
1 3 0 4233.45 4246.81 277.77 o
2 3 0 5146.08 4675.58 223.39 o
3 3 0 10801.28 11341.58 446.33 o
4 3 0 22058.38 23117.01 336.49 o
5 3 0 350.56 373.19 73.49 o
6 3 0 243.10 347.21 173.61 o
7 3 0 23299.80 24733.86 513.51 o
8 3 0 120.96 169.72 87.57 o
9 3 0 859.26 788.57 132.06 o
10 3 0 819.89 785.56 238.45 o
11 3 0 1678.94 2174.16 343.87 o
0 4 0 87267.28 82763.22 1881.32 o
1 4 0 4629.30 4968.74 99.67 o
2 4 0 30640.13 30171.82 1151.44 o
3 4 0 41528.66 42792.91 770.42 o
4 4 0 32598.65 32742.90 552.93 o
5 4 0 11956.81 12338.48 302.60 o
6 4 0 21310.83 21855.54 460.84 o
7 4 0 4255.39 4121.86 205.26 o
8 4 0 380.15 226.33 102.77 o
9 4 0 371.33 141.71 103.83 o
10 4 0 1.51 -56.61 177.81 o
11 4 0 1078.90 1399.22 330.49 o
1 5 0 0.47 469.76 97.01 o
2 5 0 2793.59 3313.94 256.86 o
3 5 0 343.04 300.76 58.08 o
4 5 0 27240.45 26076.53 494.49 o
5 5 0 32588.96 31610.31 572.90 o
6 5 0 18292.38 18387.85 419.62 o
7 5 0 1528.34 1717.80 156.89 o
8 5 0 8957.86 9686.61 435.42 o
9 5 0 7921.73 8261.51 330.63 o
10 5 0 25007.80 25138.13 620.32 o
11 5 0 1833.01 1890.22 321.27 o
0 6 0 14178.49 13767.15 444.23 o
1 6 0 16261.16 14978.85 268.15 o
2 6 0 1214.10 1141.66 100.16 o
3 6 0 2.00 -34.48 34.48 o
4 6 0 20433.81 20849.36 570.01 o
5 6 0 8193.73 9404.26 748.51 o
6 6 0 794.76 931.18 120.21 o
7 6 0 86.25 467.72 111.69 o
8 6 0 3511.59 4174.55 315.46 o
9 6 0 6751.63 7256.74 317.67 o
10 6 0 1582.03 1707.36 205.83 o
1 7 0 42687.33 43124.64 1525.30 o
2 7 0 1520.26 2450.64 178.71 o
3 7 0 8686.88 9410.34 231.42 o
4 7 0 1755.42 1672.29 157.76 o
5 7 0 2080.59 2064.50 188.82 o
6 7 0 80.06 -74.18 97.38 o
7 7 0 303.36 10.31 129.12 o
8 7 0 36.61 -37.13 126.01 o
9 7 0 732.09 937.18 189.84 o
10 7 0 332.22 399.87 169.14 o
0 8 0 3107.64 3244.63 234.88 o
1 8 0 12002.78 11633.54 315.78 o
2 8 0 66982.52 64885.88 1142.67 o
3 8 0 15408.26 15548.90 594.85 o
4 8 0 29.83 7.66 114.89 o
5 8 0 686.66 719.95 188.92 o
6 8 0 2893.86 2854.02 321.68 o
7 8 0 5.87 43.40 173.61 o
8 8 0 18.51 109.78 186.37 o
9 8 0 1979.65 2200.45 314.02 o
1 9 0 143.18 87.38 71.15 o
2 9 0 4117.27 4429.02 427.63 o
3 9 0 515.39 393.16 158.29 o
4 9 0 4767.90 5475.71 370.19 o
5 9 0 9557.53 9360.89 497.84 o
6 9 0 12119.88 12143.43 592.30 o
7 9 0 8124.05 7862.53 508.05 o
8 9 0 28992.02 29683.43 1072.27 o
9 9 0 2159.03 2075.35 337.00 o
0 10 0 1582.60 1398.80 209.35 o
1 10 0 13085.16 13014.84 373.05 o
2 10 0 6318.88 5919.94 390.61 o
3 10 0 108.72 -38.30 140.42 o
4 10 0 10969.29 12054.07 576.98 o
5 10 0 8395.03 9639.17 536.13 o
6 10 0 630.07 548.90 217.01 o
7 10 0 36.63 7.66 191.48 o
8 10 0 4752.43 4551.52 462.10 o
1 11 0 328.65 275.73 145.52 o
2 11 0 2191.15 2195.34 291.04 o
3 11 0 103.23 209.35 171.05 o
4 11 0 8925.22 9470.67 538.69 o
5 11 0 17.36 403.38 204.24 o
6 11 0 4299.12 4030.70 400.82 o
7 11 0 792.11 656.13 237.43 o
0 12 0 3208.31 2608.93 314.02 o
1 12 0 576.88 628.04 199.14 o
2 12 0 1662.64 1712.82 273.17 o
3 12 0 941.05 865.47 232.32 o
4 12 0 3753.30 4525.99 418.69 o
5 12 0 4218.86 4566.84 444.23 o
1 13 0 4697.15 4166.01 382.95 o
2 13 0 8840.97 10027.23 566.77 o
3 13 0 821.32 1120.77 262.96 o
-11 0 1 1306.32 1495.81 426.35 o
-9 0 1 316.83 352.32 260.41 o
-7 0 1 333.71 360.63 122.54 o
-5 0 1 1873.33 1914.18 104.77 o
-3 0 1 96245.15 104240.98 1675.54 o
-1 0 1 95179.04 112473.32 2118.75 o
1 0 1 76022.62 86553.33 2188.96 o
3 0 1 29425.01 31298.85 573.36 o
5 0 1 8171.02 8483.56 249.72 o
7 0 1 0.92 -11.35 56.76 o
9 0 1 1733.20 1965.57 400.82 o
11 0 1 42.79 107.23 293.60 o
-12 1 1 893.12 753.82 278.80 o
-11 1 1 8808.74 10078.07 584.70 o
-10 1 1 5479.06 6018.08 453.70 o
-9 1 1 616.26 1413.58 435.16 o
-8 1 1 6383.71 7626.43 559.11 o
-7 1 1 3983.06 4332.74 304.07 o
-6 1 1 2655.25 2744.26 118.66 o
-5 1 1 3814.77 4977.94 119.57 o
-4 1 1 11833.90 11453.91 483.39 o
-3 1 1 54603.24 59344.10 1809.96 o
-2 1 1 818.25 621.71 49.87 o
-1 1 1 4415.41 4624.18 92.63 o
0 1 1 111224.59 85354.27 1868.55 o
1 1 1 2849.69 2904.54 58.54 o
2 1 1 967.85 1345.93 38.34 o
3 1 1 38157.24 40269.80 669.52 o
4 1 1 13630.36 13520.60 223.88 o
5 1 1 2106.53 2171.39 174.30 o
6 1 1 10.85 -2.25 52.69 o
7 1 1 3266.22 3364.40 127.54 o
8 1 1 11.17 12.27 75.10 o
9 1 1 11745.51 11524.93 540.65 o
10 1 1 2379.53 2857.05 353.71 o
11 1 1 4769.63 5158.27 482.52 o
12 1 1 12.54 154.30 224.75 o
-12 2 1 2677.04 2863.29 395.15 o
-11 2 1 19799.99 22080.67 916.41 o
-10 2 1 3909.24 4747.86 640.81 o
-9 2 1 927.36 1138.28 232.69 o
-8 2 1 6463.75 7014.70 601.04 o
-7 2 1 68091.46 72225.26 1179.28 o
-6 2 1 84.20 459.20 200.30 o
-5 2 1 7850.81 7859.90 217.38 o
-4 2 1 11711.78 11859.50 257.69 o
-3 2 1 14668.79 13858.07 502.17 o
-2 2 1 6723.48 6940.19 218.00 o
-1 2 1 4325.35 4405.76 118.73 o
0 2 1 5216.97 5056.03 115.49 o
1 2 1 8827.95 8681.83 154.80 o
2 2 1 58.31 43.83 24.47 o
3 2 1 70350.66 71147.34 841.64 o
4 2 1 2608.17 3120.62 94.13 o
5 2 1 1711.11 1773.12 82.49 o
6 2 1 12349.43 12736.61 244.09 o
7 2 1 61169.00 63021.70 1011.75 o
8 2 1 12.45 5.81 66.43 o
9 2 1 24250.86 24626.65 802.40 o
10 2 1 10232.98 11193.66 573.17 o
11 2 1 6849.55 7353.10 526.54 o
-11 3 1 3947.17 4780.92 536.13 o
-10 3 1 1696.68 2493.52 621.66 o
-9 3 1 2419.41 2574.15 194.76 o
-8 3 1 2741.12 3060.55 421.71 o
-7 3 1 6462.98 7481.90 337.04 o
-6 3 1 4087.55 4205.92 177.55 o
-5 3 1 1683.64 1698.42 117.66 o
-4 3 1 6112.74 5980.20 183.83 o
-3 3 1 11889.17 11228.00 237.05 o
-2 3 1 47346.29 47691.21 570.89 o
-1 3 1 97264.88 92312.82 1033.39 o
0 3 1 7389.56 6834.58 160.64 o
1 3 1 3055.75 2880.05 85.74 o
2 3 1 15651.45 15219.16 270.64 o
3 3 1 110398.13 110028.50 1265.12 o
4 3 1 57272.04 58081.15 724.93 o
5 3 1 87.67 111.07 37.41 o
6 3 1 4018.40 4354.35 192.04 o
7 3 1 7629.03 7722.20 261.78 o
8 3 1 267.76 244.64 100.99 o
9 3 1 10.22 32.18 89.19 o
10 3 1 375.44 203.30 187.87 o
11 3 1 4.42 508.50 579.54 o
-11 4 1 429.10 712.23 251.79 o
-10 4 1 185.50 482.26 265.51 o
-9 4 1 313.21 314.22 120.40 o
-8 4 1 1730.31 1771.76 166.62 o
-7 4 1 6004.66 6473.07 280.15 o
-6 4 1 11307.87 11659.79 433.46 o
-5 4 1 32.83 49.23 60.42 o
-4 4 1 2686.75 3444.47 319.64 o
-2 4 1 472.75 740.34 66.48 o
-1 4 1 3943.83 4032.85 132.23 o
0 4 1 25193.59 26842.98 2150.79 o
1 4 1 6030.97 6217.66 125.71 o
2 4 1 65587.46 65880.20 930.99 o
3 4 1 1797.18 2284.46 233.60 o
4 4 1 29225.97 29990.03 515.94 o
5 4 1 669.58 656.85 91.27 o
6 4 1 23232.92 23154.22 480.55 o
7 4 1 3682.68 3563.18 190.91 o
8 4 1 846.90 960.73 159.65 o
9 4 1 40.96 -37.03 186.85 o
10 4 1 879.63 795.47 241.88 o
11 4 1 114.30 -191.13 191.13 o
-11 5 1 984.95 820.57 259.77 o
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10 5 1 1231.95 1221.99 180.92 o
11 5 1 2774.43 2739.32 381.73 o
-10 6 1 8323.48 9021.48 369.35 o
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-4 6 1 37172.01 38713.65 991.86 o
-3 6 1 807.40 826.13 62.59 o
-2 6 1 3.51 -22.60 33.13 o
-1 6 1 11790.14 10846.13 207.38 o
0 6 1 1814.32 2578.28 330.62 o
1 6 1 8664.86 8541.45 249.02 o
2 6 1 659.08 632.88 71.20 o
3 6 1 404.66 353.01 85.05 o
4 6 1 10016.96 10625.58 673.91 o
5 6 1 23676.57 24593.89 1277.50 o
6 6 1 8921.69 8712.86 281.82 o
7 6 1 8999.40 9012.77 311.02 o
8 6 1 272.44 232.99 111.16 o
9 6 1 10443.22 10418.16 386.47 o
10 6 1 20400.52 19892.60 643.14 o
-10 7 1 1289.51 1216.93 219.46 o
-9 7 1 860.54 916.08 180.84 o
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-7 7 1 158.29 60.75 120.23 o
-6 7 1 112.68 143.64 123.82 o
-5 7 1 9965.07 10613.71 375.40 o
-4 7 1 9729.22 9585.56 434.01 o
-3 7 1 24286.06 23526.60 484.53 o
-2 7 1 56746.71 55642.02 982.41 o
-1 7 1 64144.38 62808.67 1089.91 o
0 7 1 13054.86 12876.23 319.53 o
1 7 1 32568.72 33375.34 1897.91 o
2 7 1 21583.91 22791.09 1086.05 o
3 7 1 24746.12 23620.33 414.73 o
4 7 1 1725.05 1664.22 158.09 o
5 7 1 13829.56 13895.01 426.48 o
6 7 1 111.36 320.15 118.96 o
7 7 1 2364.69 2495.41 256.58 o
8 7 1 162.31 29.71 219.56 o
9 7 1 1340.10 1237.20 205.92 o
10 7 1 1266.98 1171.16 224.62 o
-9 8 1 904.27 847.60 255.30 o
-8 8 1 3313.45 3699.07 370.19 o
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-6 8 1 12612.81 12342.56 569.32 o
-5 8 1 75.24 -66.38 125.10 o
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-3 8 1 11379.73 11183.75 482.52 o
-2 8 1 2281.43 2677.86 211.90 o
-1 8 1 33286.17 34124.90 1719.33 o
0 8 1 998.96 1337.55 123.69 o
1 8 1 19630.11 19613.60 1543.17 o
2 8 1 9178.74 9180.13 280.96 o
3 8 1 1059.64 1031.42 181.26 o
4 8 1 517.10 957.38 183.82 o
5 8 1 558.22 500.39 165.95 o
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7 8 1 2598.45 2118.75 301.26 o
8 8 1 14128.08 13688.00 651.02 o
9 8 1 610.42 405.93 209.35 o
-9 9 1 693.13 857.81 260.41 o
-8 9 1 10152.92 10264.66 594.85 o
-7 9 1 1204.56 1551.98 273.17 o
-6 9 1 4987.72 5485.92 428.91 o
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-4 9 1 119.50 454.44 168.50 o
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-2 9 1 197.25 273.00 155.73 o
-1 9 1 294.70 254.28 80.70 o
0 9 1 446.23 539.77 94.15 o
1 9 1 126.68 113.93 71.60 o
2 9 1 8.81 74.04 145.52 o
3 9 1 1340.19 1161.62 204.24 o
4 9 1 10380.09 9779.59 492.73 o
5 9 1 127.30 224.67 155.73 o
6 9 1 6539.96 6468.58 451.88 o
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-8 10 1 2546.86 3459.08 426.35 o
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3 10 1 261.37 579.54 176.16 o
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6 10 1 572.08 556.56 214.45 o
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-7 11 1 245.27 303.81 227.22 o
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0 11 1 1054.45 1203.08 377.72 o
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0 1 2 1497.49 1611.60 53.05 o
1 1 2 1364.27 1454.91 41.11 o
2 1 2 1238.31 1267.29 42.98 o
3 1 2 624.39 922.88 40.48 o
4 1 2 2418.48 2346.62 72.83 o
5 1 2 12637.94 12703.94 190.98 o
6 1 2 41198.04 41724.55 573.31 o
7 1 2 5250.13 5314.03 191.62 o
8 1 2 1978.58 1992.33 153.57 o
9 1 2 5235.85 5396.79 407.94 o
10 1 2 20576.04 19412.17 745.47 o
11 1 2 2448.54 2866.47 383.71 o
-12 2 2 4147.29 3829.22 446.58 o
-11 2 2 28.54 628.04 334.45 o
-10 2 2 8271.62 8953.75 566.64 o
-9 2 2 3440.49 4267.92 442.95 o
-8 2 2 12780.17 14189.54 369.81 o
-7 2 2 5456.70 7479.83 249.50 o
-6 2 2 3247.13 3432.46 157.72 o
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-4 2 2 11138.88 12460.57 267.45 o
-3 2 2 331.36 522.30 60.00 o
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-1 2 2 22745.46 22439.69 306.64 o
0 2 2 1087.07 1334.97 81.70 o
1 2 2 16.62 28.26 24.51 o
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6 2 2 20787.85 22225.64 365.67 o
7 2 2 10906.75 11596.88 326.93 o
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