#------------------------------------------------------------------------------
#$Date: 2018-01-13 07:35:57 +0200 (Sat, 13 Jan 2018) $
#$Revision: 205153 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/81/2108156.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_2108156
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   2.9317
_cell_length_b                   11.8414
_cell_length_c                   8.6047
_exptl_crystal_F_000             406.00
_reflns_d_resolution_high        0.6587
_cod_data_source_file            ps5066Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' cesbronite_MDW_twinned_in Cmcm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            196.64
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, y+1/2, z'
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
0 0 -2 841.87 772.15 32.23 o
0 0 2 1665.50 1892.63 104.00 o
0 0 -4 38219.07 42146.25 120.64 o
0 0 -6 452.39 544.75 44.74 o
0 0 8 11055.79 10917.82 194.78 o
0 0 -10 202.11 219.03 139.90 o
0 0 -12 3455.35 3049.97 200.65 o
0 -2 0 16631.99 13957.90 140.43 o
0 2 -1 5553.62 5887.40 44.12 o
0 -2 1 10986.90 11527.01 56.36 o
0 2 -2 17827.79 20233.69 83.68 o
0 -2 -2 35269.24 38443.12 117.00 o
0 -2 3 6297.28 7055.40 79.94 o
0 -2 3 12458.11 13076.33 96.81 o
0 2 -4 4262.65 4727.02 69.37 o
0 2 4 8432.94 8669.37 106.88 o
0 2 -5 1525.16 1638.16 47.61 o
0 -2 -5 3017.27 3026.80 133.06 o
0 2 -6 8205.66 8717.39 54.01 o
0 -2 7 2582.62 2685.80 57.52 o
0 -2 -8 1617.23 1549.82 89.10 o
0 -2 9 380.40 280.86 91.62 o
0 -2 10 3119.10 3299.13 120.89 o
0 2 11 880.63 860.52 113.73 o
0 -2 12 650.62 556.78 108.60 o
0 -4 0 1169.93 1027.84 76.96 o
0 4 -1 577.63 473.28 34.83 o
0 -4 2 8800.82 8267.17 41.61 o
0 -4 3 332.98 278.40 34.78 o
0 -4 4 908.41 1010.53 39.44 o
0 -4 5 754.77 737.90 42.17 o
0 -4 6 6471.80 6423.03 66.45 o
0 -4 -7 200.63 231.75 47.60 o
0 -4 8 646.05 649.31 56.63 o
0 -4 -9 387.72 486.95 79.29 o
0 -4 10 3214.08 3329.49 107.73 o
0 -4 -11 70.65 133.43 95.91 o
0 -4 12 441.00 357.49 122.38 o
0 -6 0 10863.52 10273.55 112.39 o
0 6 1 637.36 603.20 43.88 o
0 6 2 788.32 739.30 36.81 o
0 6 3 1124.99 1112.91 25.81 o
0 6 4 8384.96 7933.00 59.90 o
0 6 -5 309.10 287.86 43.39 o
0 -6 6 695.97 703.95 49.97 o
0 -6 -7 813.34 741.92 51.39 o
0 6 -8 4345.62 4257.30 74.47 o
0 -6 9 121.19 201.13 62.27 o
0 -6 10 485.64 608.98 93.55 o
0 -6 11 357.13 486.12 102.25 o
0 -8 0 10436.11 9958.00 126.80 o
0 8 1 3882.31 3748.10 76.71 o
0 -8 -2 3491.83 3406.01 55.58 o
0 8 -3 2382.54 2379.60 38.83 o
0 -8 4 7460.43 7460.18 61.47 o
0 -8 5 2445.63 2370.08 52.80 o
0 -8 6 1844.78 1767.22 55.13 o
0 8 -7 779.03 733.30 54.78 o
0 8 -8 3452.85 3519.24 77.74 o
0 8 9 1008.73 923.70 82.53 o
0 -8 -10 780.55 811.11 114.77 o
0 -8 -11 243.04 308.22 172.98 o
0 10 0 421.77 362.61 89.96 o
0 10 1 0.76 -0.04 62.98 o
0 10 -2 13961.75 13502.49 104.50 o
0 10 -3 3.60 -8.73 44.90 o
0 -10 -4 367.15 299.88 60.02 o
0 -10 -5 23.34 89.72 63.91 o
0 -10 6 7648.72 7504.63 118.23 o
0 10 -7 3.84 -9.00 85.83 o
0 -10 8 223.04 259.78 83.31 o
0 10 -9 30.70 -8.39 107.54 o
0 10 -10 3251.39 3112.15 194.41 o
0 12 0 3058.68 3031.56 125.24 o
0 12 -1 764.43 770.35 75.63 o
0 12 -2 1409.97 1326.85 73.90 o
0 -12 3 423.75 447.40 76.88 o
0 -12 4 2668.92 2745.41 114.04 o
0 12 5 794.52 716.78 107.35 o
0 -12 6 909.90 833.31 111.11 o
0 -12 7 156.78 216.14 98.08 o
0 -12 -8 1764.44 1811.96 118.56 o
0 12 -9 517.26 512.76 237.36 o
0 14 0 2313.26 2336.69 137.80 o
0 -14 1 118.66 138.44 84.59 o
0 -14 -2 283.81 248.10 85.56 o
0 -14 -3 117.39 177.89 85.93 o
0 -14 4 2140.55 2178.05 110.84 o
0 14 -5 88.01 253.07 116.27 o
0 14 -6 235.86 254.90 119.10 o
0 14 -7 84.65 76.05 129.48 o
0 -16 0 200.46 223.20 137.63 o
0 -16 1 219.04 234.93 97.65 o
0 -16 -2 2635.96 2753.34 115.60 o
0 -16 -3 127.21 183.16 110.04 o
0 -16 4 210.11 309.48 125.24 o
1 1 0 1879.81 1716.77 54.59 o
-1 1 0 3718.89 3680.85 92.81 o
-1 -1 -1 1050.89 944.59 35.27 o
1 1 -1 2079.02 1846.11 43.16 o
-1 -1 -2 8726.01 9800.84 54.06 o
1 1 -2 17262.95 18323.43 76.74 o
-1 1 -3 1578.85 1825.05 30.38 o
1 1 -3 3123.48 3274.99 58.96 o
-1 -1 -4 1344.44 1493.75 40.75 o
1 -1 -4 2659.75 2846.44 47.73 o
-1 -1 -5 502.31 514.17 39.09 o
1 -1 -5 993.73 1009.60 46.98 o
1 -1 6 6238.39 6531.69 65.84 o
-1 -1 6 12341.59 12494.49 82.69 o
1 -1 7 962.76 983.94 44.97 o
1 -1 -7 1904.66 1868.46 80.48 o
-1 -1 -8 823.65 814.20 55.65 o
1 -1 -8 1629.46 1371.30 108.07 o
1 1 9 183.78 223.43 68.85 o
1 -1 -9 363.59 379.33 185.74 o
1 1 10 3070.63 3422.80 87.37 o
1 1 -10 6074.73 6363.46 249.02 o
1 1 11 375.52 293.33 73.97 o
1 -1 -11 742.91 728.51 328.21 o
-1 1 12 500.36 441.83 100.54 o
1 -3 0 31963.91 31008.27 55.91 o
1 3 1 454.80 431.40 15.94 o
-1 3 1 899.75 1171.89 46.80 o
-1 3 -2 656.28 638.45 28.71 o
1 -3 -2 1298.33 1397.48 38.84 o
1 -3 3 982.05 881.16 28.69 o
1 -3 -3 1942.82 1955.40 39.12 o
1 -3 4 19545.52 19391.48 60.96 o
-1 3 4 38667.49 36992.23 189.67 o
1 -3 5 107.85 93.80 34.07 o
1 -3 -5 213.37 237.79 68.92 o
-1 -3 6 508.24 541.15 40.63 o
-1 3 6 1005.46 996.80 75.99 o
-1 -3 -7 638.14 688.38 49.12 o
-1 3 7 1262.46 1391.42 109.92 o
-1 -3 8 7423.07 7339.62 74.44 o
1 -3 -8 14685.29 14541.88 183.52 o
-1 3 9 25.69 88.84 53.18 o
1 -3 -9 50.82 262.77 263.58 o
1 3 -10 283.61 324.14 71.86 o
-1 -3 10 561.08 664.96 299.76 o
1 3 11 272.24 357.94 80.31 o
-1 3 -12 2728.52 2425.49 205.57 o
1 -5 0 10825.62 9915.58 44.60 o
1 5 -1 6170.70 5963.29 31.32 o
-1 5 1 12207.68 12256.45 193.99 o
-1 5 -2 9637.91 9707.60 48.72 o
-1 5 2 19066.97 19463.72 112.24 o
1 -5 3 5032.75 5003.73 32.02 o
1 -5 -3 9956.43 10644.28 89.15 o
1 5 -4 6811.84 6849.99 39.06 o
1 -5 -4 13476.07 14083.51 192.45 o
-1 -5 5 2722.96 2802.83 40.02 o
-1 5 5 5386.90 6266.56 128.22 o
-1 -5 -6 4681.35 4543.85 54.13 o
1 -5 -6 9261.26 10238.21 158.45 o
1 -5 7 1946.44 1886.35 53.54 o
1 -5 -7 3850.71 3981.91 126.17 o
1 -5 8 2644.95 2657.96 62.81 o
-1 5 8 5232.57 5380.92 198.62 o
1 5 -9 861.80 836.08 57.49 o
1 5 10 1775.31 1796.81 70.79 o
-1 5 -11 682.52 591.12 83.47 o
1 -7 0 687.67 716.84 44.38 o
-1 7 -1 279.71 247.61 29.58 o
-1 -7 -2 12047.08 11647.92 46.85 o
-1 7 -3 60.72 79.16 26.25 o
-1 7 3 120.13 153.19 96.46 o
1 7 4 581.24 547.76 28.11 o
1 -7 -4 1149.89 1291.60 126.38 o
1 -7 5 497.05 483.59 35.96 o
-1 7 5 983.33 1066.53 253.93 o
1 -7 6 6964.46 6875.36 61.48 o
-1 7 6 13778.01 13790.86 224.27 o
-1 7 -7 13.15 40.27 46.41 o
1 -7 -8 383.87 358.13 54.49 o
1 -7 9 345.89 415.40 65.41 o
-1 7 -10 3137.11 3109.70 82.84 o
1 7 -11 1.89 90.41 89.91 o
-1 9 0 3843.00 3814.54 66.17 o
1 9 -1 511.70 534.15 35.98 o
-1 9 -2 889.96 809.05 36.80 o
-1 -9 -3 412.53 377.24 36.28 o
1 9 4 3416.30 3353.13 48.48 o
-1 9 4 6758.57 5872.14 302.89 o
1 9 5 489.09 436.31 48.14 o
-1 -9 6 698.58 703.55 52.54 o
1 9 -7 248.87 196.46 54.63 o
-1 -9 8 2283.60 2271.48 67.26 o
-1 -9 9 289.35 328.18 64.05 o
1 9 -10 506.33 524.09 82.94 o
-1 11 0 4328.92 4268.78 77.77 o
-1 11 -1 756.10 791.01 45.97 o
1 -11 2 685.76 665.53 45.37 o
-1 11 3 432.28 418.91 53.64 o
1 -11 4 3718.43 3749.55 62.93 o
1 11 5 659.03 679.13 62.43 o
1 -11 6 472.47 483.63 62.08 o
-1 11 -7 146.94 125.22 63.99 o
-1 -11 8 2398.22 2434.30 78.41 o
1 -11 9 369.76 304.31 86.82 o
-1 13 0 235.43 221.97 76.55 o
1 13 1 146.87 204.91 54.74 o
1 -13 -2 6924.65 6773.09 86.11 o
1 13 -3 81.98 83.80 59.86 o
-1 13 -4 227.74 300.82 72.69 o
-1 -13 5 151.55 184.80 87.47 o
-1 -13 6 4333.19 4287.71 105.24 o
1 -13 7 30.81 146.02 93.29 o
-1 15 0 1810.81 1920.64 128.06 o
1 -15 1 760.54 811.78 80.51 o
1 -15 2 1733.31 1697.52 86.15 o
1 15 -3 536.50 563.91 81.92 o
1 15 4 1571.61 1629.35 96.68 o
-1 15 -5 664.27 735.88 95.50 o
-1 17 0 1761.96 1744.19 272.53 o
-1 17 -1 11.33 48.05 177.90 o
1 -17 2 207.59 426.97 284.33 o
2 0 0 25993.03 24816.17 151.78 o
2 0 -2 420.21 436.58 32.54 o
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2 0 -6 652.16 693.13 129.81 o
-2 0 -8 7059.61 6780.04 128.31 o
2 0 -8 13966.26 13442.61 271.94 o
2 0 10 167.41 308.11 163.03 o
-2 0 10 331.20 622.59 228.81 o
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2 2 -3 2582.54 2715.35 40.84 o
2 -2 -3 5109.13 5311.10 105.85 o
-2 -2 4 2364.85 2664.10 45.08 o
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2 2 -5 886.50 1044.71 47.19 o
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2 -2 6 4817.00 4982.23 64.77 o
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2 2 -7 1449.43 1423.20 66.65 o
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2 -2 -8 2227.94 2212.31 109.74 o
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2 2 10 2270.61 2430.00 131.08 o
2 2 -10 4492.01 4875.71 178.02 o
-2 2 -11 626.89 474.50 264.57 o
2 -4 0 738.67 725.09 35.68 o
-2 4 1 361.44 295.67 22.47 o
2 -4 -1 715.05 610.37 181.56 o
2 -4 -2 5730.75 5448.10 41.79 o
-2 4 2 11337.31 11705.17 108.27 o
2 4 -3 237.34 362.07 36.62 o
-2 4 3 469.54 545.81 72.82 o
2 4 -4 644.29 750.12 42.64 o
-2 4 4 1274.61 1259.56 72.08 o
2 4 -5 412.51 414.83 53.15 o
2 -4 -5 816.08 904.43 83.27 o
2 -4 6 4198.06 4376.64 75.33 o
2 -4 -6 8305.15 7707.73 124.54 o
2 4 -7 131.86 126.07 56.99 o
2 -4 -7 260.85 358.02 94.83 o
2 4 -8 488.69 457.07 70.88 o
-2 4 8 966.79 925.71 101.90 o
2 4 -9 255.60 365.22 80.31 o
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2 4 -10 2354.30 2439.12 93.82 o
2 -4 -10 4657.57 5248.32 232.55 o
2 -4 -11 102.27 508.09 322.77 o
2 6 0 6448.77 6378.91 90.39 o
-2 6 -1 372.41 331.65 43.65 o
2 -6 -1 736.75 645.61 197.91 o
-2 6 -2 581.21 507.08 50.13 o
-2 6 2 1149.83 1070.65 114.65 o
-2 6 -3 573.41 600.88 39.21 o
-2 6 3 1134.40 1074.11 109.36 o
2 6 -4 5204.22 5182.57 67.44 o
-2 6 4 10295.66 9768.64 153.18 o
2 6 5 201.10 242.51 58.59 o
2 -6 -5 397.85 299.02 100.95 o
2 6 6 514.92 504.72 63.89 o
2 -6 -6 1018.69 1017.39 111.93 o
2 6 -7 493.40 476.97 74.14 o
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2 -6 8 3027.36 2968.99 87.49 o
2 -6 -8 5989.12 6818.46 149.96 o
2 6 -9 86.81 106.17 85.89 o
2 -6 -9 171.74 390.53 131.73 o
2 6 -10 390.93 467.36 119.32 o
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2 8 1 1971.31 1907.40 53.38 o
2 -8 2 2088.32 2090.18 59.32 o
-2 8 2 4131.37 3875.55 279.09 o
2 -8 -3 1327.31 1267.50 53.98 o
-2 8 3 2625.86 2685.03 269.39 o
2 8 -4 4551.01 4365.36 68.70 o
-2 8 4 9003.39 8206.75 320.63 o
2 8 5 1429.83 1414.92 67.36 o
-2 8 5 2828.67 2795.33 192.31 o
2 -8 6 1268.98 1219.85 75.30 o
2 -8 -6 2510.45 2761.06 204.01 o
2 -8 7 521.25 561.03 82.63 o
2 -8 -7 1031.21 774.74 201.63 o
2 8 -8 2479.19 2436.79 85.97 o
2 -8 -8 4904.67 5689.88 266.65 o
2 8 -9 709.81 700.13 95.38 o
-2 8 9 1404.25 1478.24 201.13 o
2 10 0 306.91 304.19 71.35 o
-2 10 1 0.48 20.32 54.40 o
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2 -10 3 1.75 105.40 73.28 o
-2 10 3 3.46 263.55 296.75 o
2 10 4 276.87 296.63 66.51 o
-2 10 4 547.74 428.81 289.90 o
2 10 5 14.55 72.52 68.76 o
-2 10 5 28.79 -124.22 320.98 o
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2 -10 7 2.32 19.74 75.90 o
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2 10 -8 183.39 283.05 82.92 o
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2 -10 9 22.79 397.44 256.97 o
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2 12 -4 1920.24 1842.35 87.12 o
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2 14 -4 1615.39 1515.38 110.42 o
2 14 -5 62.59 12.67 239.16 o
-2 16 -1 162.58 352.82 254.27 o
3 1 0 841.45 861.95 67.45 o
3 1 -1 412.01 317.94 46.62 o
3 1 -2 3558.54 3489.31 63.16 o
-3 1 3 504.45 533.93 53.55 o
-3 -1 4 692.76 673.11 49.57 o
3 1 -5 222.75 253.29 51.36 o
3 1 -6 2794.98 2765.95 63.91 o
3 1 -7 379.83 411.94 61.47 o
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3 -1 -9 91.14 77.34 104.92 o
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3 3 -1 127.62 88.61 60.36 o
3 3 -2 338.15 340.57 49.79 o
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3 -3 -5 49.37 45.05 59.01 o
3 -3 -5 97.67 39.55 263.47 o
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3 5 -1 1655.33 1612.27 57.54 o
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3 -5 -8 2777.00 2882.02 225.62 o
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3 7 -1 96.53 192.76 58.77 o
3 -7 -1 190.97 227.28 261.95 o
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3 -7 -2 9499.80 9788.82 355.05 o
-3 7 3 30.44 27.55 82.37 o
3 -7 -3 60.21 92.43 266.52 o
3 7 -4 332.26 360.92 87.70 o
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3 7 5 190.73 211.26 90.09 o
3 -7 -5 377.34 419.33 205.79 o
3 7 -6 3354.62 3154.15 106.52 o
3 -7 -6 6636.56 6597.52 256.77 o
3 -7 7 8.54 24.18 121.34 o
3 -7 -7 16.90 1.86 194.29 o
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3 9 -1 216.79 230.09 62.04 o
-3 9 -2 515.09 478.00 81.22 o
-3 9 2 1019.03 992.93 334.65 o
3 9 -3 180.60 279.67 90.88 o
-3 9 3 357.28 400.10 223.34 o
3 9 -4 1749.00 1634.27 114.10 o
-3 9 4 3460.10 3673.73 258.26 o
3 9 5 220.65 293.91 100.02 o
3 -9 -5 436.52 453.75 232.53 o
3 9 6 433.71 590.98 259.39 o
3 -11 0 2191.39 2189.14 115.13 o
-3 11 1 331.05 296.33 74.26 o
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3 11 -3 203.19 198.08 85.86 o
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