#------------------------------------------------------------------------------
#$Date: 2024-11-07 05:02:36 +0200 (Thu, 07 Nov 2024) $
#$Revision: 295819 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/26/2312686.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_2312686
_cell_angle_alpha                90.000
_cell_angle_beta                 117.249
_cell_angle_gamma                90.000
_cell_length_a                   7.2333
_cell_length_b                   6.0254
_cell_length_c                   7.4294
_exptl_crystal_F_000             408.00
_reflns_d_resolution_high        0.7701
_cod_data_source_file            op3025Ba2YAlO5sup2.hkl
_cod_data_source_block           Ba2YAlO5
_shelx_title                     ' BaYAl1_2115A_0m_b.res in P2(1)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            249.28
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -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
1 0 0 791.91 839.24 13.40 o
2 0 0 4311.30 4403.08 76.74 o
3 0 0 475.49 454.94 15.12 o
4 0 0 17713.34 16078.37 302.73 o
5 0 0 1808.07 1757.22 46.46 o
6 0 0 1361.55 1296.89 46.09 o
7 0 0 314.40 308.46 22.27 o
8 0 0 1593.90 1492.27 61.35 o
1 1 0 758.06 756.58 9.65 o
2 1 0 51915.50 49037.24 492.43 o
3 1 0 167.16 164.57 6.70 o
4 1 0 3802.75 3564.15 49.05 o
5 1 0 73.45 85.32 7.01 o
6 1 0 5870.97 5648.81 77.52 o
7 1 0 1054.46 993.69 27.08 o
8 1 0 689.21 687.22 28.88 o
0 2 0 62142.82 66500.22 1643.29 o
1 2 0 50.53 108.95 4.54 o
2 2 0 1471.26 1456.14 20.69 o
3 2 0 539.56 562.02 12.99 o
4 2 0 24192.08 23476.93 247.08 o
5 2 0 398.28 442.05 17.69 o
6 2 0 1402.20 1347.02 27.58 o
7 2 0 185.09 172.66 15.53 o
8 2 0 993.77 934.92 33.31 o
1 3 0 791.51 871.83 17.00 o
2 3 0 35642.05 36571.83 429.03 o
3 3 0 39.17 54.59 4.83 o
4 3 0 2983.58 2853.10 48.51 o
5 3 0 41.97 62.71 8.78 o
6 3 0 4665.68 4146.22 67.13 o
7 3 0 861.81 856.48 30.84 o
0 4 0 50873.07 53179.21 765.31 o
1 4 0 290.64 321.49 10.29 o
2 4 0 1599.72 1566.18 26.91 o
3 4 0 316.59 313.71 11.02 o
4 4 0 11618.65 11117.52 139.01 o
5 4 0 948.21 889.96 23.57 o
6 4 0 924.93 836.73 29.71 o
7 4 0 205.66 210.04 20.93 o
1 5 0 329.64 316.19 11.41 o
2 5 0 20815.22 19991.98 224.98 o
3 5 0 40.70 52.58 7.41 o
4 5 0 1640.14 1559.86 32.68 o
5 5 0 55.20 53.26 11.43 o
6 5 0 3568.22 3607.33 84.64 o
0 6 0 20384.35 22398.42 321.17 o
1 6 0 45.72 91.10 7.48 o
2 6 0 533.74 516.70 16.40 o
3 6 0 282.68 312.82 16.07 o
4 6 0 9665.09 9393.56 144.56 o
5 6 0 214.17 214.14 23.13 o
1 7 0 376.40 362.16 17.65 o
2 7 0 12059.64 12076.18 159.67 o
3 7 0 13.21 18.98 11.96 o
-8 0 1 8022.01 8269.31 214.01 o
-7 0 1 4460.94 4109.32 85.55 o
-6 0 1 1507.49 1602.32 51.26 o
-5 0 1 2269.21 2267.33 60.47 o
-4 0 1 10654.25 10501.79 403.16 o
-3 0 1 12679.07 12150.40 254.26 o
-2 0 1 280.33 327.26 8.65 o
-1 0 1 79.18 94.33 4.43 o
0 0 1 1031.51 1084.73 17.88 o
1 0 1 4409.87 4799.04 67.96 o
2 0 1 12617.43 13352.72 244.04 o
3 0 1 10041.12 10080.18 172.32 o
4 0 1 2078.08 2038.23 53.59 o
5 0 1 1642.57 1731.29 60.91 o
6 0 1 4867.32 4859.80 115.62 o
7 0 1 7593.04 7294.55 201.76 o
-8 1 1 640.71 619.68 27.92 o
-7 1 1 2223.19 2174.19 44.05 o
-6 1 1 11104.18 10763.20 163.65 o
-5 1 1 4621.72 4364.07 70.37 o
-4 1 1 2995.41 2981.35 66.09 o
-3 1 1 1427.91 1451.00 30.56 o
-2 1 1 3941.30 3664.37 58.94 o
-1 1 1 3818.13 4033.61 43.36 o
0 1 1 3636.23 4677.24 122.49 o
1 1 1 3679.03 3648.65 105.61 o
2 1 1 1303.02 1327.45 42.58 o
3 1 1 3264.07 3618.94 64.46 o
4 1 1 4885.29 4984.50 68.29 o
5 1 1 10692.49 10634.79 176.21 o
6 1 1 2025.78 1881.33 42.29 o
7 1 1 621.10 559.33 39.62 o
-8 2 1 6272.01 6447.34 118.03 o
-7 2 1 5725.71 5725.77 91.11 o
-6 2 1 655.69 592.38 20.03 o
-5 2 1 1653.65 1574.99 29.62 o
-4 2 1 12603.84 12487.75 192.46 o
-3 2 1 3455.44 3140.72 143.29 o
-2 2 1 9656.34 11438.38 295.52 o
-1 2 1 606.37 655.34 11.39 o
0 2 1 818.12 958.04 38.82 o
1 2 1 10599.79 10447.46 222.25 o
2 2 1 3515.60 3386.34 74.87 o
3 2 1 11868.63 11789.10 183.35 o
4 2 1 1523.58 1483.56 31.03 o
5 2 1 704.84 693.31 34.04 o
6 2 1 6203.99 6033.86 98.37 o
7 2 1 5984.18 6071.18 152.74 o
-8 3 1 553.83 579.19 31.84 o
-7 3 1 1924.66 1898.00 52.65 o
-6 3 1 8997.13 8184.59 117.89 o
-5 3 1 3669.65 3768.85 65.06 o
-4 3 1 2125.95 2169.88 42.33 o
-3 3 1 982.78 995.43 26.73 o
-2 3 1 2555.76 2496.31 67.01 o
-1 3 1 2870.45 2977.11 76.57 o
0 3 1 2648.00 2781.04 71.72 o
1 3 1 2395.76 2517.51 59.31 o
2 3 1 895.80 914.74 26.40 o
3 3 1 2311.94 2391.60 43.51 o
4 3 1 3870.12 3928.66 62.47 o
5 3 1 8643.51 8391.80 189.60 o
6 3 1 1753.89 1685.90 53.86 o
7 3 1 538.77 582.37 37.06 o
-7 4 1 3176.37 3166.08 86.88 o
-6 4 1 912.34 895.56 33.93 o
-5 4 1 1516.14 1410.44 39.88 o
-4 4 1 6315.99 6252.92 93.06 o
-3 4 1 5182.07 5096.67 72.45 o
-2 4 1 2317.12 2428.28 47.13 o
-1 4 1 420.48 445.88 20.45 o
0 4 1 450.92 496.22 18.14 o
1 4 1 2528.64 2645.00 38.54 o
2 4 1 5146.37 4995.57 77.19 o
3 4 1 5965.43 5978.22 99.26 o
4 4 1 1389.25 1356.96 30.46 o
5 4 1 993.37 1000.31 39.73 o
6 4 1 3468.05 3519.29 77.73 o
-6 5 1 6237.78 6263.96 116.66 o
-5 5 1 2528.51 2439.39 70.24 o
-4 5 1 1413.11 1501.26 37.55 o
-3 5 1 726.50 708.80 26.04 o
-2 5 1 1836.11 1807.76 36.45 o
-1 5 1 1800.91 1868.27 29.26 o
0 5 1 1651.03 1829.87 33.00 o
1 5 1 1709.32 1679.78 38.29 o
2 5 1 664.47 690.80 17.93 o
3 5 1 1545.45 1599.85 36.85 o
4 5 1 2690.12 2410.81 83.58 o
5 5 1 6015.70 6233.04 112.99 o
-5 6 1 897.52 836.67 37.83 o
-4 6 1 4694.60 4386.33 100.82 o
-3 6 1 1565.17 1560.54 36.19 o
-2 6 1 2332.35 2258.15 41.33 o
-1 6 1 241.76 275.47 15.26 o
0 6 1 245.35 270.49 13.63 o
1 6 1 2559.23 2534.87 40.88 o
2 6 1 1574.72 1636.54 38.40 o
3 6 1 4437.36 4187.86 131.17 o
4 6 1 823.89 869.05 47.36 o
-4 7 1 734.18 734.91 39.57 o
-3 7 1 409.87 392.43 32.12 o
-2 7 1 964.03 987.23 34.00 o
-1 7 1 1068.52 1059.74 35.78 o
0 7 1 989.19 1015.95 27.80 o
1 7 1 903.44 955.95 35.51 o
2 7 1 373.68 398.84 24.74 o
3 7 1 800.57 741.83 36.28 o
-9 0 2 726.51 987.32 119.24 o
-8 0 2 120.48 151.24 20.24 o
-7 0 2 677.97 664.45 28.56 o
-6 0 2 4450.11 4288.40 81.63 o
-5 0 2 73.94 93.79 11.55 o
-4 0 2 1977.25 1965.72 43.40 o
-3 0 2 1394.13 1555.44 33.81 o
-2 0 2 23904.98 23488.30 366.47 o
-1 0 2 748.34 691.46 21.83 o
0 0 2 711.16 769.33 21.79 o
2 0 2 28810.17 31022.98 450.92 o
3 0 2 27.94 54.01 6.75 o
4 0 2 733.63 753.49 26.92 o
5 0 2 20.36 48.70 8.28 o
6 0 2 2550.84 2467.58 78.62 o
7 0 2 445.26 602.89 42.94 o
-8 1 2 439.89 485.77 26.32 o
-7 1 2 30.90 37.57 7.79 o
-6 1 2 1488.88 1438.64 28.85 o
-5 1 2 499.67 487.24 14.75 o
-4 1 2 11311.68 11173.78 127.91 o
-3 1 2 1317.26 1254.69 22.05 o
-2 1 2 1218.71 1110.56 22.71 o
-1 1 2 10.61 20.83 2.32 o
0 1 2 28323.46 27081.97 288.63 o
1 1 2 1108.26 1051.75 21.98 o
2 1 2 227.36 271.56 10.89 o
3 1 2 26.59 61.14 8.12 o
4 1 2 9898.04 10393.33 149.44 o
5 1 2 99.27 137.31 12.12 o
6 1 2 1154.53 1097.35 40.08 o
7 1 2 355.88 373.82 25.35 o
-8 2 2 82.28 122.95 12.74 o
-7 2 2 1151.83 1124.90 27.54 o
-6 2 2 2306.19 2222.69 38.92 o
-5 2 2 45.50 55.68 5.92 o
-4 2 2 2511.72 2364.15 40.72 o
-3 2 2 320.14 364.14 13.14 o
-2 2 2 32157.43 30692.94 342.50 o
-1 2 2 2070.06 2024.39 27.31 o
0 2 2 99.24 94.60 6.39 o
1 2 2 200.79 344.09 10.45 o
2 2 2 16424.90 17354.58 247.40 o
3 2 2 205.31 262.01 13.06 o
4 2 2 573.88 606.16 17.78 o
5 2 2 53.52 58.97 9.08 o
6 2 2 2954.29 3035.07 59.44 o
-8 3 2 420.84 533.12 25.03 o
-7 3 2 20.04 24.79 8.26 o
-6 3 2 1088.10 991.52 23.51 o
-5 3 2 372.58 434.65 13.86 o
-4 3 2 8211.87 7907.28 96.93 o
-3 3 2 774.77 734.81 18.68 o
-2 3 2 913.30 928.33 18.98 o
-1 3 2 4.41 13.49 3.28 o
0 3 2 19217.39 19582.87 222.74 o
1 3 2 827.25 844.09 17.89 o
2 3 2 140.10 170.43 8.83 o
3 3 2 36.18 81.89 9.02 o
4 3 2 8070.02 8609.06 121.34 o
5 3 2 85.68 95.48 10.96 o
6 3 2 971.54 981.55 40.90 o
-7 4 2 496.60 550.04 32.22 o
-6 4 2 2806.50 2728.73 59.41 o
-5 4 2 69.56 93.36 8.16 o
-4 4 2 1200.20 1231.80 30.35 o
-3 4 2 475.25 480.59 13.86 o
-2 4 2 12458.88 12497.73 140.24 o
-1 4 2 519.68 487.79 13.07 o
0 4 2 241.37 279.92 11.40 o
2 4 2 15097.21 16421.78 199.09 o
3 4 2 20.30 35.73 7.14 o
4 4 2 475.61 501.67 20.49 o
5 4 2 10.80 41.69 10.02 o
6 4 2 1829.08 1742.99 51.35 o
-7 5 2 20.88 18.46 11.64 o
-6 5 2 759.96 789.41 33.38 o
-5 5 2 314.87 283.01 20.83 o
-4 5 2 5483.27 5706.11 85.40 o
-3 5 2 631.36 589.41 16.93 o
-2 5 2 571.19 561.67 16.42 o
-1 5 2 12.25 25.81 4.58 o
0 5 2 11841.10 11583.95 128.28 o
1 5 2 371.68 361.75 14.95 o
2 5 2 117.83 148.95 11.36 o
3 5 2 17.78 51.97 7.80 o
4 5 2 5207.55 5300.74 87.17 o
5 5 2 49.53 94.41 12.76 o
-5 6 2 44.35 48.57 11.91 o
-4 6 2 886.13 868.41 33.26 o
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0 6 2 54.48 90.21 7.78 o
1 6 2 72.32 149.41 10.87 o
2 6 2 7134.76 7234.10 114.58 o
3 6 2 25.58 52.20 10.47 o
4 6 2 263.45 314.69 21.67 o
-4 7 2 3111.63 2835.34 66.35 o
-3 7 2 310.40 296.18 19.19 o
-2 7 2 327.24 365.59 18.58 o
-1 7 2 7.43 230.22 78.81 o
0 7 2 6643.48 6811.29 98.60 o
1 7 2 311.84 307.91 18.08 o
2 7 2 43.85 40.22 9.88 o
-9 0 3 44.41 51.20 14.48 o
-8 0 3 801.37 772.56 37.77 o
-7 0 3 1059.60 989.26 38.09 o
-6 0 3 11740.25 11388.84 198.71 o
-5 0 3 284.77 313.73 16.08 o
-4 0 3 141.44 142.03 11.73 o
-3 0 3 1909.87 1975.15 42.20 o
-2 0 3 5951.45 5706.30 115.05 o
-1 0 3 11495.94 11377.47 188.58 o
0 0 3 17.56 37.46 6.78 o
1 0 3 1439.93 1523.49 41.36 o
2 0 3 63.49 85.92 14.13 o
3 0 3 1602.43 1556.15 57.27 o
4 0 3 3256.76 3328.44 101.62 o
5 0 3 2184.07 2128.71 79.92 o
6 0 3 57.61 108.28 20.52 o
-9 1 3 773.88 813.28 28.13 o
-8 1 3 6639.31 6665.46 115.37 o
-7 1 3 44.07 57.95 7.20 o
-6 1 3 121.58 124.40 8.92 o
-5 1 3 1776.15 1724.57 31.61 o
-4 1 3 8332.22 8365.14 114.77 o
-3 1 3 2332.98 2084.50 30.73 o
-2 1 3 26.91 27.30 4.85 o
-1 1 3 74.96 76.45 5.59 o
0 1 3 1454.59 1416.70 26.18 o
1 1 3 3725.15 3726.27 53.73 o
2 1 3 347.52 355.35 14.51 o
3 1 3 2684.69 2791.70 50.87 o
4 1 3 185.67 221.66 14.19 o
5 1 3 1118.13 1144.40 36.72 o
6 1 3 2905.63 2785.74 67.80 o
-8 2 3 692.03 731.22 29.85 o
-7 2 3 1197.70 1118.90 30.66 o
-6 2 3 8615.81 8625.68 108.93 o
-5 2 3 1383.77 1290.78 23.90 o
-4 2 3 10.25 19.01 4.62 o
-3 2 3 783.06 811.44 24.06 o
-2 2 3 5847.33 5852.42 85.68 o
-1 2 3 3438.55 3496.82 46.33 o
0 2 3 423.33 429.03 11.45 o
1 2 3 812.62 845.25 21.33 o
2 2 3 16.62 45.77 7.06 o
3 2 3 2692.76 2909.42 68.51 o
4 2 3 1703.88 1644.74 37.00 o
5 2 3 1954.64 2025.75 56.43 o
6 2 3 100.01 90.54 17.65 o
-8 3 3 5517.15 5705.70 98.47 o
-7 3 3 24.18 29.49 7.79 o
-6 3 3 129.77 136.09 10.63 o
-5 3 3 1452.00 1432.19 36.24 o
-4 3 3 6699.59 6471.93 95.07 o
-3 3 3 1771.36 1871.09 37.63 o
-2 3 3 47.71 83.55 7.71 o
-1 3 3 30.57 33.39 4.64 o
0 3 3 837.55 854.14 20.41 o
1 3 3 2953.30 3065.93 51.89 o
2 3 3 359.84 408.21 16.84 o
3 3 3 2235.37 2367.88 53.87 o
4 3 3 135.12 170.70 15.28 o
5 3 3 872.74 851.04 35.68 o
-8 4 3 545.91 631.34 30.95 o
-7 4 3 787.81 778.08 33.34 o
-6 4 3 7455.73 7244.41 106.95 o
-5 4 3 233.70 293.39 17.56 o
-4 4 3 50.67 53.80 7.55 o
-3 4 3 846.80 801.81 23.83 o
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-1 4 3 4639.08 4428.56 61.36 o
0 4 3 13.44 27.64 5.05 o
1 4 3 753.57 805.51 21.82 o
2 4 3 25.14 34.52 6.61 o
3 4 3 1176.30 1194.41 32.15 o
4 4 3 2106.84 2065.11 47.19 o
5 4 3 1615.31 1629.16 46.06 o
-7 5 3 23.83 91.10 15.89 o
-6 5 3 70.69 74.16 13.35 o
-5 5 3 925.91 828.38 31.45 o
-4 5 3 4122.25 4131.14 79.01 o
-3 5 3 1059.82 869.76 24.22 o
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-1 5 3 13.81 12.32 4.55 o
0 5 3 596.00 612.81 21.96 o
1 5 3 1813.79 1827.00 38.58 o
2 5 3 244.93 270.12 14.40 o
3 5 3 1413.13 1458.36 40.70 o
4 5 3 100.50 91.81 14.86 o
-6 6 3 4171.12 4363.99 89.92 o
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-4 6 3 7.40 15.15 9.14 o
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-2 6 3 1994.73 1861.65 37.70 o
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0 6 3 102.91 122.66 10.96 o
1 6 3 359.93 442.55 22.90 o
2 6 3 5.02 26.70 8.07 o
3 6 3 1165.82 1183.78 38.39 o
-4 7 3 2632.51 2536.00 68.74 o
-3 7 3 600.13 716.44 31.10 o
-2 7 3 14.36 36.11 8.08 o
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0 7 3 259.19 346.20 24.17 o
1 7 3 1128.12 993.21 31.43 o
-9 0 4 1196.63 1114.21 49.28 o
-8 0 4 564.67 666.68 35.08 o
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-6 0 4 885.22 838.30 30.98 o
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-1 0 4 43.70 45.49 7.57 o
0 0 4 17705.33 17032.38 280.17 o
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5 0 4 6.07 32.38 15.51 o
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5 2 4 98.57 143.74 17.05 o
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-6 3 4 1968.76 2199.95 45.07 o
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-3 3 4 284.03 331.45 14.24 o
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-1 3 4 1376.96 1273.95 26.87 o
0 3 4 351.08 372.10 14.19 o
1 3 4 43.26 57.71 6.60 o
2 3 4 10867.97 10946.81 175.63 o
3 3 4 164.93 209.93 16.72 o
4 3 4 451.59 496.00 28.01 o
5 3 4 72.75 128.62 17.82 o
-8 4 4 437.63 528.91 30.41 o
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-6 4 4 565.05 576.93 24.78 o
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1 4 4 197.17 221.26 13.02 o
2 4 4 3.97 12.85 6.79 o
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-7 5 4 769.64 802.23 34.10 o
-6 5 4 1328.02 1210.52 44.93 o
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-4 5 4 915.29 920.33 33.02 o
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0 5 4 265.02 292.47 17.04 o
1 5 4 7.96 35.04 6.42 o
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3 5 4 114.14 140.95 14.91 o
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-3 6 4 552.47 538.75 34.62 o
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