#------------------------------------------------------------------------------
#$Date: 2024-01-02 04:22:53 +0200 (Tue, 02 Jan 2024) $
#$Revision: 288598 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/29/2022996.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_2022996
_cell_angle_alpha                90.000
_cell_angle_beta                 116.956
_cell_angle_gamma                90.000
_cell_length_a                   15.1466
_cell_length_b                   4.5782
_cell_length_c                   10.6060
_exptl_crystal_F_000             897.11
_reflns_d_resolution_high        0.6133
_cod_data_source_file            yd3036Isup2.hkl
_cod_data_source_block           I
_shelx_title
' Ba2Y0.9Mn1.7Te5 in C2/m after abs. correction and structure tidy'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            641.11
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'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
2 0 0 1145.59 1241.88 31.95 o
4 0 0 40866.66 42056.60 841.60 o
6 0 0 98649.84 100987.00 1828.84 o
8 0 0 1011.20 1078.69 48.54 o
10 0 0 895.92 928.12 55.09 o
12 0 0 26345.65 25835.73 802.74 o
14 0 0 2644.79 2551.96 103.06 o
16 0 0 2674.64 2567.89 732.94 o
18 0 0 23571.20 24540.62 1782.11 o
20 0 0 173.19 -310.89 310.89 o
1 1 0 3085.54 3139.63 52.44 o
3 1 0 99065.95 100703.85 1191.05 o
5 1 0 82434.62 82347.35 930.87 o
7 1 0 9780.81 9613.62 133.62 o
9 1 0 95182.79 94488.54 1233.20 o
11 1 0 7848.09 7638.91 164.17 o
13 1 0 11669.20 11509.54 312.02 o
15 1 0 15408.81 15408.48 402.22 o
17 1 0 971.45 1011.21 186.22 o
19 1 0 45.98 59.43 254.95 o
21 1 0 249.37 540.01 337.97 o
0 2 0 411023.00 380458.50 12723.22 o
2 2 0 347.86 416.26 27.07 o
4 2 0 26354.13 25660.03 335.36 o
6 2 0 67936.39 68751.39 814.03 o
8 2 0 612.68 745.39 40.45 o
10 2 0 576.64 611.59 29.26 o
12 2 0 20501.10 20332.92 326.07 o
14 2 0 2209.14 2024.55 243.34 o
16 2 0 2022.79 2069.42 257.16 o
18 2 0 19146.47 19022.06 774.88 o
20 2 0 157.65 -57.06 271.05 o
1 3 0 889.78 962.66 46.09 o
3 3 0 46451.80 46195.46 858.77 o
5 3 0 39804.66 39194.22 777.55 o
7 3 0 5080.11 5176.85 112.23 o
9 3 0 55472.29 54216.77 875.81 o
11 3 0 4856.60 4680.83 121.70 o
13 3 0 7217.21 6878.78 237.78 o
15 3 0 10191.68 10153.50 485.18 o
17 3 0 596.90 529.83 221.95 o
19 3 0 26.84 -95.79 1013.59 o
0 4 0 148348.25 144850.00 3507.40 o
2 4 0 6.51 0.91 43.04 o
4 4 0 11340.80 11412.27 249.37 o
6 4 0 29935.17 29695.13 578.30 o
8 4 0 119.41 130.51 37.78 o
10 4 0 154.74 155.32 47.45 o
12 4 0 10479.59 10457.66 317.02 o
14 4 0 1329.49 1517.67 144.81 o
16 4 0 915.66 1094.76 171.97 o
18 4 0 10675.37 9864.63 861.99 o
1 5 0 111.15 37.20 43.27 o
3 5 0 17569.79 17632.76 471.42 o
5 5 0 14197.87 14656.08 371.56 o
7 5 0 1998.83 2240.63 129.20 o
9 5 0 22629.07 22878.04 501.85 o
11 5 0 2123.68 2061.74 122.21 o
13 5 0 3122.77 3129.02 297.52 o
15 5 0 4962.29 3801.54 344.91 o
0 6 0 44889.55 44423.91 1197.96 o
2 6 0 42.56 36.67 61.22 o
4 6 0 4015.83 4167.57 234.79 o
6 6 0 10282.75 10545.80 351.52 o
8 6 0 1.46 -0.34 100.87 o
10 6 0 9.31 -102.68 102.68 o
12 6 0 4043.56 4011.15 632.44 o
1 7 0 7.96 -423.62 544.36 o
3 7 0 5853.93 4593.78 825.15 o
5 7 0 4233.24 3543.92 692.77 o
-22 0 1 6.34 -279.92 536.42 o
-20 0 1 42.89 -85.40 288.53 o
-18 0 1 1952.14 2342.76 338.20 o
-16 0 1 6927.93 6701.05 476.13 o
-14 0 1 963.06 1200.70 201.46 o
-12 0 1 67702.87 67877.80 1991.95 o
-10 0 1 4140.90 4182.39 174.50 o
-8 0 1 30348.26 30209.24 579.73 o
-6 0 1 16452.82 16678.36 319.77 o
-4 0 1 2498.49 2629.39 87.03 o
-2 0 1 34.22 32.85 37.76 o
0 0 1 184.60 223.15 20.92 o
2 0 1 1392.72 1425.41 40.29 o
4 0 1 48918.83 48915.07 791.68 o
6 0 1 24587.40 23941.13 477.25 o
8 0 1 4293.16 4103.79 209.75 o
10 0 1 6285.45 6125.46 216.36 o
12 0 1 45.03 49.72 43.66 o
14 0 1 8192.70 7993.58 537.41 o
16 0 1 804.56 930.53 91.14 o
18 0 1 3052.13 3213.31 454.17 o
20 0 1 1031.47 126.90 423.24 o
-21 1 1 10876.03 11846.19 980.67 o
-19 1 1 391.87 65.99 178.86 o
-17 1 1 2959.41 3440.85 374.37 o
-15 1 1 21289.90 21259.96 701.15 o
-13 1 1 10382.10 10689.92 283.59 o
-11 1 1 8945.84 8800.60 171.47 o
-9 1 1 17738.10 17830.47 273.12 o
-7 1 1 10381.12 10569.21 163.28 o
-5 1 1 12583.74 12344.82 183.99 o
-3 1 1 127428.76 137100.92 2042.85 o
-1 1 1 327.41 367.86 17.95 o
1 1 1 31.00 105.88 22.43 o
3 1 1 75589.99 74934.03 825.26 o
5 1 1 74966.22 74137.76 846.05 o
7 1 1 12574.41 12476.93 178.52 o
9 1 1 4511.50 4534.69 131.69 o
11 1 1 493.90 572.55 60.30 o
13 1 1 14879.96 14942.43 319.63 o
15 1 1 1647.99 1494.42 235.22 o
17 1 1 747.84 864.35 108.41 o
19 1 1 545.66 399.85 242.82 o
-20 2 1 38.81 45.61 278.56 o
-18 2 1 1663.39 1687.77 256.08 o
-16 2 1 5549.69 5034.85 306.86 o
-14 2 1 707.57 772.84 84.77 o
-12 2 1 51578.23 51827.59 1023.17 o
-10 2 1 3218.34 3266.55 80.15 o
-8 2 1 21166.25 21096.59 280.33 o
-6 2 1 11680.10 11881.49 169.15 o
-4 2 1 1505.73 1498.32 43.63 o
-2 2 1 46.98 86.26 11.86 o
0 2 1 67.47 78.22 13.47 o
2 2 1 972.19 1009.59 59.96 o
4 2 1 31097.65 31271.65 391.97 o
6 2 1 16992.70 16539.17 222.47 o
8 2 1 3042.92 2846.25 62.88 o
10 2 1 4449.03 4211.04 92.14 o
12 2 1 38.13 56.47 27.11 o
14 2 1 6439.32 6155.55 204.64 o
16 2 1 660.25 772.91 118.15 o
18 2 1 2496.24 2308.80 343.69 o
20 2 1 876.80 1112.23 455.33 o
-19 3 1 312.48 621.69 450.24 o
-17 3 1 2049.08 1953.90 259.74 o
-15 3 1 13521.42 13549.02 389.18 o
-13 3 1 5587.06 5561.59 226.66 o
-11 3 1 4688.89 4342.09 133.76 o
-9 3 1 9940.68 9931.18 180.91 o
-7 3 1 5746.26 5786.91 137.77 o
-5 3 1 5696.71 5462.07 141.18 o
-3 3 1 55501.11 53615.55 753.99 o
-1 3 1 271.83 368.57 58.42 o
1 3 1 46.08 111.85 49.94 o
3 3 1 32701.79 31808.48 524.81 o
5 3 1 35039.79 35001.15 565.17 o
7 3 1 6522.59 6648.59 135.84 o
9 3 1 2628.81 2719.33 87.36 o
11 3 1 262.07 297.84 39.17 o
13 3 1 9047.75 8782.10 299.14 o
15 3 1 932.95 772.63 193.23 o
17 3 1 485.42 175.96 159.91 o
-16 4 1 2977.88 3337.78 450.26 o
-14 4 1 308.77 212.14 139.44 o
-12 4 1 25231.67 24662.65 687.57 o
-10 4 1 1700.32 1759.14 115.34 o
-8 4 1 8752.69 8854.33 282.93 o
-6 4 1 5580.69 5900.82 156.08 o
-4 4 1 564.83 696.93 62.53 o
-2 4 1 39.84 25.28 35.58 o
0 4 1 9.66 3.86 43.44 o
2 4 1 498.91 490.30 69.07 o
4 4 1 11974.75 12385.60 281.65 o
6 4 1 6924.58 6611.61 188.61 o
8 4 1 1341.16 1405.33 76.83 o
10 4 1 1837.44 1836.89 114.21 o
12 4 1 24.66 11.10 72.64 o
14 4 1 3384.80 3411.58 202.69 o
16 4 1 380.22 545.42 177.71 o
-15 5 1 6066.26 5482.18 352.04 o
-13 5 1 1936.68 1669.47 140.41 o
-11 5 1 1536.25 1442.28 120.87 o
-9 5 1 3946.87 3860.63 317.25 o
-7 5 1 2433.56 2316.25 128.50 o
-5 5 1 1781.23 1838.19 119.45 o
-3 5 1 18405.59 18648.55 478.68 o
-1 5 1 220.40 271.40 44.39 o
1 5 1 35.33 45.51 37.34 o
3 5 1 10181.49 10550.63 253.69 o
5 5 1 10849.53 11001.66 261.47 o
7 5 1 2279.06 2426.21 108.72 o
9 5 1 1110.24 1165.50 232.57 o
11 5 1 83.40 154.45 129.91 o
13 5 1 3654.79 3711.00 226.97 o
15 5 1 321.28 -20.34 239.29 o
-12 6 1 9504.85 9115.96 672.92 o
-10 6 1 632.16 652.44 120.01 o
-8 6 1 2809.77 2857.81 182.58 o
-6 6 1 2070.06 2057.78 140.10 o
-4 6 1 118.43 110.32 71.01 o
-2 6 1 15.06 25.49 62.32 o
0 6 1 7.03 -91.08 91.08 o
2 6 1 192.16 126.52 74.02 o
4 6 1 3612.30 3791.91 175.20 o
6 6 1 2184.36 2165.49 151.91 o
8 6 1 408.17 374.43 111.29 o
10 6 1 583.95 466.64 219.67 o
12 6 1 12.13 455.11 385.91 o
-3 7 1 5015.48 4544.25 826.54 o
-1 7 1 116.56 321.73 553.18 o
1 7 1 27.53 -300.36 1088.53 o
3 7 1 2682.14 3495.78 731.63 o
5 7 1 2802.58 2349.39 608.77 o
-22 0 2 157.33 919.48 830.29 o
-20 0 2 41.59 303.43 287.49 o
-18 0 2 105.03 388.04 185.24 o
-16 0 2 15220.12 15286.01 1500.15 o
-14 0 2 4919.05 4873.59 308.87 o
-12 0 2 11439.96 11337.13 379.25 o
-10 0 2 41407.30 40773.45 839.54 o
-8 0 2 118861.23 119895.09 2894.32 o
-6 0 2 1219.28 1163.78 49.25 o
-4 0 2 14464.76 13786.98 802.41 o
-2 0 2 4852.39 5299.65 112.98 o
0 0 2 9796.12 9867.33 304.82 o
2 0 2 216292.03 202223.83 5565.03 o
4 0 2 28176.34 28988.75 526.67 o
6 0 2 45145.62 46307.97 771.72 o
8 0 2 84857.56 84987.52 1865.15 o
10 0 2 46791.20 46786.05 1235.88 o
12 0 2 10978.16 10732.35 402.90 o
14 0 2 2355.94 2258.30 139.29 o
16 0 2 1607.04 1647.71 167.84 o
18 0 2 9.84 142.28 446.95 o
-21 1 2 1916.85 1698.22 346.54 o
-19 1 2 5.93 -54.25 150.43 o
-17 1 2 3800.94 3684.88 248.64 o
-15 1 2 378.35 308.77 95.30 o
-13 1 2 127.49 61.25 52.14 o
-11 1 2 376.46 470.93 34.71 o
-9 1 2 199.96 287.31 32.81 o
-7 1 2 91430.41 91777.56 1261.00 o
-5 1 2 2424.59 2518.44 49.18 o
-3 1 2 212567.86 222157.77 3691.00 o
-1 1 2 31144.51 31544.48 387.25 o
1 1 2 70977.91 72014.55 795.08 o
3 1 2 41505.05 42581.11 484.68 o
5 1 2 13348.68 13303.42 182.50 o
7 1 2 7269.55 7420.46 164.77 o
9 1 2 4462.36 4459.16 151.22 o
11 1 2 28857.22 28699.44 620.36 o
13 1 2 165.35 59.89 96.75 o
15 1 2 21315.71 20722.18 563.74 o
17 1 2 7006.78 6669.71 405.75 o
19 1 2 3785.97 3469.60 425.21 o
-20 2 2 38.29 36.01 200.14 o
-18 2 2 68.66 123.35 148.95 o
-16 2 2 11900.50 11849.03 538.39 o
-14 2 2 3805.37 3718.09 147.86 o
-12 2 2 9052.12 8952.89 189.53 o
-10 2 2 29700.74 28613.38 432.33 o
-8 2 2 81787.91 81341.09 1058.96 o
-6 2 2 1077.88 1076.34 28.76 o
-4 2 2 9087.93 8773.63 145.79 o
-2 2 2 3059.28 3212.61 75.78 o
0 2 2 6558.56 6456.31 105.33 o
2 2 2 135280.91 134980.88 1570.66 o
4 2 2 18474.65 18925.53 248.95 o
6 2 2 34008.38 32844.29 436.12 o
8 2 2 62456.29 59439.84 857.78 o
10 2 2 35291.66 35280.39 628.40 o
12 2 2 8963.02 8792.54 333.57 o
14 2 2 1927.98 1821.12 153.57 o
16 2 2 1283.64 1225.65 185.86 o
18 2 2 16.55 -465.82 465.82 o
-19 3 2 5.10 130.78 377.70 o
-17 3 2 2473.64 2226.13 270.28 o
-15 3 2 274.64 396.90 130.48 o
-13 3 2 97.03 92.65 47.69 o
-11 3 2 263.71 290.89 42.48 o
-9 3 2 241.06 198.96 21.74 o
-7 3 2 46862.62 45452.49 710.91 o
-5 3 2 1398.05 1472.53 58.70 o
-3 3 2 94104.81 90631.34 1343.90 o
-1 3 2 15123.82 14213.73 248.42 o
1 3 2 33113.90 33132.36 465.54 o
3 3 2 21435.11 20638.94 326.79 o
5 3 2 7399.87 7205.96 152.93 o
7 3 2 4125.42 4308.07 137.77 o
9 3 2 3142.78 3045.20 156.18 o
11 3 2 18004.37 17063.76 342.35 o
13 3 2 78.02 171.93 52.44 o
15 3 2 14194.46 14193.32 517.63 o
17 3 2 4857.17 5049.60 334.35 o
-18 4 2 16.34 26.19 290.60 o
-16 4 2 6054.56 5731.37 270.42 o
-14 4 2 1847.26 2026.35 139.99 o
-12 4 2 4830.92 4305.65 203.68 o
-10 4 2 12874.64 13117.82 283.87 o
-8 4 2 33759.79 33316.46 734.01 o
-6 4 2 902.17 1054.61 67.29 o
-4 4 2 3778.35 3696.76 215.60 o
-2 4 2 1347.14 1536.14 112.44 o
0 4 2 3378.59 3374.97 102.16 o
2 4 2 52545.71 53225.13 920.59 o
4 4 2 7353.43 7330.27 185.58 o
6 4 2 17026.90 17031.94 459.07 o
8 4 2 28544.48 29189.90 631.39 o
10 4 2 16626.12 16610.94 399.97 o
12 4 2 5207.07 5266.95 219.11 o
14 4 2 1086.58 911.28 225.43 o
16 4 2 676.80 -250.04 1023.71 o
-17 5 2 1126.59 901.09 433.95 o
-15 5 2 149.30 199.51 116.53 o
-13 5 2 71.34 39.10 91.07 o
-11 5 2 145.21 163.72 81.55 o
-9 5 2 214.40 193.56 57.37 o
-7 5 2 16766.67 17351.05 406.21 o
-5 5 2 671.38 797.11 96.58 o
-3 5 2 32416.69 33071.62 766.00 o
-1 5 2 5846.79 5933.74 171.52 o
1 5 2 11701.56 11786.41 291.71 o
3 5 2 8683.96 8691.86 235.35 o
5 5 2 3101.62 3285.43 133.53 o
7 5 2 1700.08 1813.41 110.37 o
9 5 2 1652.84 1759.78 130.40 o
11 5 2 8013.57 7628.96 458.50 o
13 5 2 18.15 -164.26 297.57 o
-12 6 2 2012.43 2173.22 226.85 o
-10 6 2 4288.26 4750.63 264.72 o
-8 6 2 10478.49 11153.14 600.45 o
-6 6 2 584.54 629.24 140.37 o
-4 6 2 1270.98 1420.51 123.96 o
-2 6 2 459.57 624.20 86.33 o
0 6 2 1642.20 1818.36 123.90 o
2 6 2 16134.85 16713.22 411.49 o
4 6 2 2283.88 2449.34 231.16 o
6 6 2 6647.79 6650.93 338.37 o
8 6 2 9884.68 9607.93 430.20 o
10 6 2 5732.13 5458.70 343.23 o
-5 7 2 250.23 902.76 564.88 o
-3 7 2 9617.73 7656.33 851.30 o
-1 7 2 1941.30 2151.73 812.40 o
1 7 2 3431.03 3625.31 1269.51 o
-20 0 3 7278.77 8394.61 1200.60 o
-18 0 3 7673.67 8629.13 830.92 o
-16 0 3 332.79 380.29 143.27 o
-14 0 3 95.57 145.22 91.52 o
-12 0 3 7072.34 7328.99 215.50 o
-10 0 3 56078.81 55107.11 1110.66 o
-8 0 3 288.97 418.39 33.51 o
-6 0 3 69623.22 68904.77 2420.13 o
-4 0 3 146255.34 145449.09 3440.22 o
-2 0 3 50865.41 53264.73 969.11 o
0 0 3 102476.71 106142.45 1787.59 o
2 0 3 270.48 400.75 52.46 o
4 0 3 2548.39 2769.89 86.74 o
6 0 3 1450.18 1536.59 57.07 o
8 0 3 18545.40 18190.20 373.75 o
10 0 3 1002.65 862.24 155.84 o
12 0 3 1263.00 1352.67 128.28 o
14 0 3 6956.00 6865.83 612.66 o
16 0 3 586.14 501.33 175.57 o
18 0 3 1025.70 1527.81 471.61 o
-23 1 3 954.62 761.80 921.54 o
-21 1 3 17.69 -41.38 342.25 o
-19 1 3 17163.78 17427.53 701.59 o
-17 1 3 559.58 655.20 130.80 o
-15 1 3 25399.84 25090.65 656.43 o
-13 1 3 37348.11 36955.71 701.18 o
-11 1 3 44790.71 45417.57 748.82 o
-9 1 3 14167.33 14312.88 230.79 o
-7 1 3 38599.70 38645.73 574.20 o
-5 1 3 48404.18 48532.86 746.39 o
-3 1 3 2971.90 2926.38 51.35 o
-1 1 3 102929.62 103818.17 1203.23 o
1 1 3 1505.80 1412.13 39.31 o
3 1 3 29170.17 28483.93 350.07 o
5 1 3 84600.62 83260.67 989.79 o
7 1 3 36866.98 36602.89 573.25 o
9 1 3 587.12 624.50 42.40 o
11 1 3 2914.80 2841.99 143.00 o
13 1 3 4808.37 4564.77 324.39 o
15 1 3 3452.40 3635.36 163.07 o
17 1 3 569.07 632.55 205.04 o
-22 2 3 4283.28 3782.33 908.81 o
-20 2 3 5963.43 6295.38 423.10 o
-18 2 3 6298.15 6974.13 425.93 o
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-14 2 3 90.25 91.11 43.64 o
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4 2 3 1920.46 2071.32 73.45 o
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10 2 3 790.14 883.89 79.98 o
12 2 3 1013.19 1063.92 120.55 o
14 2 3 5597.88 5067.42 334.93 o
16 2 3 482.22 334.89 129.29 o
-19 3 3 11352.36 10652.51 547.52 o
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-13 3 3 22616.66 22123.57 446.28 o
-11 3 3 24940.64 25299.57 507.82 o
-9 3 3 8998.63 9685.14 217.46 o
-7 3 3 19509.46 19193.06 327.35 o
-5 3 3 21948.35 21922.02 554.72 o
-3 3 3 797.14 851.72 52.48 o
-1 3 3 47942.50 47827.50 737.56 o
1 3 3 677.16 737.36 47.36 o
3 3 3 15683.70 16510.51 304.06 o
5 3 3 45644.02 44640.56 999.97 o
7 3 3 19760.68 21036.65 413.44 o
9 3 3 473.59 551.96 93.96 o
11 3 3 1803.19 1692.22 81.36 o
13 3 3 2929.45 2844.42 235.58 o
15 3 3 2126.09 2160.09 257.06 o
-18 4 3 3631.05 3740.35 399.75 o
-16 4 3 247.50 397.53 119.03 o
-14 4 3 69.41 110.55 86.54 o
-12 4 3 3122.37 3081.97 137.72 o
-10 4 3 19613.04 18831.38 420.66 o
-8 4 3 101.16 123.49 32.63 o
-6 4 3 21146.22 21968.24 442.13 o
-4 4 3 37651.04 36491.00 656.29 o
-2 4 3 12254.31 12774.10 253.42 o
0 4 3 25562.49 25530.14 512.62 o
2 4 3 8.78 38.58 32.96 o
4 4 3 847.12 1041.39 95.19 o
6 4 3 284.31 319.45 72.37 o
8 4 3 6888.52 6748.05 192.02 o
10 4 3 380.23 385.99 60.67 o
12 4 3 548.32 751.83 149.38 o
14 4 3 3061.54 2705.37 464.67 o
16 4 3 281.30 -83.52 246.63 o
-15 5 3 7846.58 7593.22 280.56 o
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-11 5 3 9345.08 9499.77 291.85 o
-9 5 3 4276.98 4616.64 164.56 o
-7 5 3 7283.63 7153.52 239.51 o
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