#------------------------------------------------------------------------------
#$Date: 2021-01-27 08:01:51 +0200 (Wed, 27 Jan 2021) $
#$Revision: 261259 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/87/2108763.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_2108763
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.8511
_cell_length_b                   12.8511
_cell_length_c                   12.8511
_exptl_crystal_F_000             3215.18
_reflns_d_resolution_high        0.6169
_cod_data_source_file            ra50852.5Ksup2.hkl
_cod_data_source_block           2.5K
_shelx_title
' LZZO:Ta 1.0/ Zr1.0 Probe Einkristall Berlin/ T = 2.5K'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            329.66
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z'
'-y+1/4, x+3/4, z+1/4'
'y+1/4, x+3/4, -z+3/4'
'y+1/4, -x+1/4, z+3/4'
'-y+1/4, -x+1/4, -z+1/4'
'y, z, x'
'-y+1/2, -z, x+1/2'
'y, -z, -x+1/2'
'-y+1/2, z, -x'
'-z+1/4, y+3/4, x+1/4'
'-z+1/4, -y+1/4, -x+1/4'
'z+1/4, -y+1/4, x+3/4'
'z+1/4, y+3/4, -x+3/4'
'z, x, y'
'-z, x+1/2, -y+1/2'
'-z, -x+1/2, y'
'z, -x, -y+1/2'
'-x+1/4, -z+1/4, -y+1/4'
'-x+1/4, z+3/4, y+1/4'
'x+3/4, -z+3/4, y+1/4'
'x+1/4, z+3/4, -y+3/4'
'x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, -z+1'
'-x+1, -y+1/2, z+1'
'-x+1, y+1/2, -z+1/2'
'-y+3/4, x+5/4, z+3/4'
'y+3/4, x+5/4, -z+5/4'
'y+3/4, -x+3/4, z+5/4'
'-y+3/4, -x+3/4, -z+3/4'
'y+1/2, z+1/2, x+1/2'
'-y+1, -z+1/2, x+1'
'y+1/2, -z+1/2, -x+1'
'-y+1, z+1/2, -x+1/2'
'-z+3/4, y+5/4, x+3/4'
'-z+3/4, -y+3/4, -x+3/4'
'z+3/4, -y+3/4, x+5/4'
'z+3/4, y+5/4, -x+5/4'
'z+1/2, x+1/2, y+1/2'
'-z+1/2, x+1, -y+1'
'-z+1/2, -x+1, y+1/2'
'z+1/2, -x+1/2, -y+1'
'-x+3/4, -z+3/4, -y+3/4'
'-x+3/4, z+5/4, y+3/4'
'x+5/4, -z+5/4, y+3/4'
'x+3/4, z+5/4, -y+5/4'
'-x, -y, -z'
'-x, y, z-1/2'
'x-1/2, y, -z-1/2'
'x-1/2, -y, z'
'y-1/4, -x-3/4, -z-1/4'
'-y-1/4, -x-3/4, z-3/4'
'-y-1/4, x-1/4, -z-3/4'
'y-1/4, x-1/4, z-1/4'
'-y, -z, -x'
'y-1/2, z, -x-1/2'
'-y, z, x-1/2'
'y-1/2, -z, x'
'z-1/4, -y-3/4, -x-1/4'
'z-1/4, y-1/4, x-1/4'
'-z-1/4, y-1/4, -x-3/4'
'-z-1/4, -y-3/4, x-3/4'
'-z, -x, -y'
'z, -x-1/2, y-1/2'
'z, x-1/2, -y'
'-z, x, y-1/2'
'x-1/4, z-1/4, y-1/4'
'x-1/4, -z-3/4, -y-1/4'
'-x-3/4, z-3/4, -y-1/4'
'-x-1/4, -z-3/4, y-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z'
'x, y+1/2, -z'
'x, -y+1/2, z+1/2'
'y+1/4, -x-1/4, -z+1/4'
'-y+1/4, -x-1/4, z-1/4'
'-y+1/4, x+1/4, -z-1/4'
'y+1/4, x+1/4, z+1/4'
'-y+1/2, -z+1/2, -x+1/2'
'y, z+1/2, -x'
'-y+1/2, z+1/2, x'
'y, -z+1/2, x+1/2'
'z+1/4, -y-1/4, -x+1/4'
'z+1/4, y+1/4, x+1/4'
'-z+1/4, y+1/4, -x-1/4'
'-z+1/4, -y-1/4, x-1/4'
'-z+1/2, -x+1/2, -y+1/2'
'z+1/2, -x, y'
'z+1/2, x, -y+1/2'
'-z+1/2, x+1/2, y'
'x+1/4, z+1/4, y+1/4'
'x+1/4, -z-1/4, -y+1/4'
'-x-1/4, z-1/4, -y+1/4'
'-x+1/4, -z-1/4, y-1/4'
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 2 6917.03 6770.23 220.31 o
0 2 2 13006.28 13136.16 741.59 o
1 2 3 2933.22 3009.31 266.62 o
2 3 3 12349.14 12484.52 714.96 o
0 0 4 45226.20 45383.73 628.50 o
0 2 4 7565.70 7686.93 304.05 o
2 2 4 32.99 -19.14 369.02 o
1 3 4 16557.27 16496.16 1173.62 o
0 4 4 4186.93 4378.34 267.92 o
4 4 4 19066.21 19520.04 953.07 o
1 2 5 26634.28 26741.13 939.49 o
2 3 5 31427.02 32160.59 2249.61 o
1 4 5 538.06 646.25 333.79 o
3 4 5 2785.78 2992.08 73.67 o
2 5 5 27415.80 28393.06 2028.04 o
1 1 6 57419.26 57953.09 663.56 o
0 2 6 23211.87 23303.47 919.06 o
1 3 6 229.53 233.13 319.36 o
3 3 6 1102.61 1174.87 77.09 o
0 4 6 52042.21 52100.02 2478.60 o
2 4 6 56184.38 56535.05 3420.70 o
1 5 6 10290.37 10446.42 635.59 o
3 5 6 8.23 809.14 379.58 o
5 5 6 15507.22 14823.68 1353.48 o
0 6 6 1118.82 1469.11 250.54 o
4 6 6 23025.13 22885.98 1478.38 o
1 2 7 2910.67 2840.02 67.87 o
2 3 7 221.12 473.62 275.66 o
1 4 7 3729.69 3713.30 145.62 o
3 4 7 4196.78 4134.07 231.06 o
2 5 7 123.78 509.54 270.20 o
4 5 7 17954.38 18263.08 385.39 o
1 6 7 2690.08 2527.21 262.75 o
3 6 7 2911.02 2894.60 402.62 o
5 6 7 32458.51 32646.89 1880.29 o
2 7 7 16537.43 16971.72 1220.16 o
6 7 7 4275.83 4073.37 168.64 o
0 0 8 57159.71 55841.39 907.68 o
0 2 8 11420.14 11668.82 665.24 o
2 2 8 23350.43 22582.76 286.14 o
1 3 8 210.28 12.77 311.80 o
0 4 8 37604.61 37688.77 862.81 o
2 4 8 1950.07 2028.85 355.77 o
4 4 8 24873.92 25651.66 1409.72 o
1 5 8 11743.75 12369.02 353.11 o
3 5 8 32669.52 32317.31 1367.83 o
0 6 8 338.83 500.34 435.41 o
2 6 8 98.33 212.72 382.90 o
4 6 8 4997.17 5053.53 182.81 o
6 6 8 27.18 371.09 411.50 o
1 7 8 2983.60 3008.49 276.11 o
3 7 8 4761.13 4501.56 203.52 o
5 7 8 1006.62 788.29 411.74 o
0 8 8 39303.36 39830.52 2853.70 o
4 8 8 16155.71 15958.55 1111.22 o
8 8 8 63111.18 63767.92 3910.88 o
1 2 9 2555.55 2392.14 149.91 o
2 3 9 8928.84 8413.86 223.59 o
1 4 9 27958.83 27611.75 1045.63 o
3 4 9 7002.59 7273.79 172.03 o
2 5 9 5474.29 5183.56 391.84 o
4 5 9 1303.50 1431.07 571.36 o
1 6 9 16064.17 16594.68 398.39 o
3 6 9 7549.47 7315.71 455.10 o
5 6 9 9231.02 8848.88 814.73 o
2 7 9 379.86 248.04 364.07 o
4 7 9 28.99 96.76 337.07 o
6 7 9 20458.61 20682.46 471.05 o
1 8 9 17382.95 17212.50 783.75 o
3 8 9 1451.83 1051.26 255.61 o
5 8 9 5720.51 5507.97 281.12 o
7 8 9 983.45 1263.32 194.04 o
2 9 9 19883.71 19732.84 1711.38 o
6 9 9 15986.75 16434.52 814.74 o
1 1 10 2891.41 2927.95 161.43 o
0 2 10 27445.67 27314.49 440.07 o
1 3 10 2584.36 2817.94 124.44 o
3 3 10 8170.51 8436.10 266.71 o
0 4 10 27967.31 27675.18 500.05 o
2 4 10 40847.33 40694.65 495.09 o
1 5 10 31850.89 31657.88 443.86 o
3 5 10 10223.20 10404.12 350.41 o
5 5 10 4436.89 4484.71 129.55 o
0 6 10 1534.06 1595.81 238.29 o
2 6 10 10787.59 10752.93 334.31 o
4 6 10 21095.98 20769.84 1170.77 o
1 7 10 11990.86 12043.47 278.40 o
3 7 10 1597.34 1596.01 149.54 o
5 7 10 220.63 293.64 362.79 o
7 7 10 728.71 102.28 469.84 o
0 8 10 3496.17 3317.80 318.03 o
2 8 10 4476.66 4287.55 219.74 o
4 8 10 42027.20 41940.19 1971.40 o
6 8 10 6250.42 6131.61 203.06 o
1 9 10 5093.51 5297.37 236.81 o
3 9 10 6.03 74.43 425.29 o
5 9 10 137.27 755.17 694.54 o
7 9 10 12284.58 12032.80 930.05 o
9 9 10 28200.06 26852.80 1566.07 o
0 10 10 83670.05 83275.47 5766.44 o
4 10 10 57278.11 58095.45 3181.97 o
8 10 10 1948.62 1789.66 766.08 o
1 2 11 14422.91 14786.57 385.55 o
2 3 11 3762.30 3806.57 199.12 o
1 4 11 5939.11 5579.75 415.55 o
3 4 11 1238.07 1529.01 146.88 o
2 5 11 1680.26 2026.10 122.41 o
4 5 11 908.48 31.98 481.90 o
1 6 11 571.84 482.48 208.76 o
3 6 11 64879.09 65689.94 3263.83 o
5 6 11 4147.32 4314.87 419.08 o
2 7 11 14338.64 14203.28 413.16 o
4 7 11 27375.69 27085.30 1269.29 o
6 7 11 3764.09 3588.99 258.64 o
1 8 11 2080.05 2419.35 324.08 o
3 8 11 230.33 -167.03 427.69 o
5 8 11 9059.15 9206.60 969.01 o
7 8 11 5464.30 6051.48 235.26 o
2 9 11 12696.99 12359.09 771.09 o
4 9 11 8780.36 9319.83 304.49 o
6 9 11 3898.45 3893.77 267.44 o
8 9 11 1955.48 1969.17 777.84 o
1 10 11 3808.76 4307.49 274.13 o
3 10 11 1297.77 772.42 692.40 o
5 10 11 61.18 -188.22 303.06 o
7 10 11 6461.27 6412.08 371.11 o
9 10 11 23616.51 23517.15 1668.16 o
2 11 11 23.86 56.35 143.54 o
6 11 11 1749.62 1829.57 292.29 o
10 11 11 18917.46 18438.87 919.16 o
0 0 12 2273.48 2464.22 110.91 o
0 2 12 9494.70 9248.51 428.56 o
2 2 12 49414.91 48973.56 475.67 o
1 3 12 12517.02 11922.38 381.37 o
0 4 12 11706.36 12165.45 321.04 o
2 4 12 27.14 -43.60 94.63 o
4 4 12 1218.99 1590.72 269.02 o
1 5 12 279.36 -85.13 108.54 o
3 5 12 15642.73 15578.66 1065.92 o
0 6 12 3354.10 3197.51 201.50 o
2 6 12 6572.77 6364.58 189.67 o
4 6 12 2000.53 1843.39 287.08 o
6 6 12 25189.03 24883.37 1437.05 o
1 7 12 111.52 433.93 422.23 o
3 7 12 15638.12 15995.50 428.02 o
5 7 12 1220.40 -236.81 841.65 o
0 8 12 26505.79 27121.65 2211.83 o
2 8 12 9190.02 8572.77 310.13 o
4 8 12 212.05 878.71 729.78 o
6 8 12 14233.53 13975.34 1096.97 o
8 8 12 37933.16 38120.52 2500.57 o
1 9 12 3813.17 3713.44 331.37 o
3 9 12 5515.73 5750.48 465.96 o
5 9 12 2420.79 2591.64 206.06 o
7 9 12 6219.35 5982.60 246.77 o
0 10 12 5142.82 5409.76 233.49 o
2 10 12 45464.47 46073.21 2412.68 o
4 10 12 49.75 42.53 314.75 o
6 10 12 40171.23 39187.11 2272.21 o
8 10 12 2197.12 3274.28 568.63 o
10 10 12 798.09 177.89 789.31 o
1 11 12 17880.85 17548.78 735.55 o
3 11 12 486.80 1035.77 666.38 o
5 11 12 645.98 181.03 765.67 o
7 11 12 831.26 1998.57 889.56 o
9 11 12 1692.01 2324.83 808.03 o
0 12 12 12008.97 12358.79 329.12 o
4 12 12 13620.63 13433.15 585.12 o
8 12 12 7655.94 7840.45 357.61 o
1 2 13 52.45 52.11 283.92 o
2 3 13 8986.47 8981.87 311.92 o
1 4 13 506.35 -116.06 454.65 o
3 4 13 6560.85 6433.07 176.70 o
2 5 13 5150.62 5039.78 183.79 o
4 5 13 4158.82 4308.77 294.64 o
1 6 13 523.34 1910.17 698.48 o
3 6 13 476.67 819.74 850.61 o
5 6 13 5998.98 6167.73 238.86 o
2 7 13 8466.34 8467.97 285.96 o
4 7 13 5335.03 5253.56 343.38 o
6 7 13 7932.94 8181.28 436.04 o
1 8 13 1035.99 1793.75 448.63 o
3 8 13 3947.62 4003.07 235.32 o
5 8 13 5680.33 6028.11 251.39 o
7 8 13 12686.64 13414.27 365.67 o
2 9 13 548.56 967.82 554.71 o
4 9 13 575.69 1508.77 713.39 o
6 9 13 10524.32 10696.61 301.92 o
8 9 13 189.79 547.80 891.38 o
1 10 13 9556.52 9695.39 296.74 o
3 10 13 3907.44 3428.87 233.97 o
5 10 13 754.55 1905.60 836.16 o
7 10 13 997.55 694.87 319.73 o
9 10 13 2913.72 2506.36 636.53 o
2 11 13 13472.85 12991.76 374.63 o
4 11 13 8155.44 7985.64 321.79 o
6 11 13 86.74 255.22 311.59 o
1 12 13 3950.45 4121.77 406.25 o
3 12 13 14223.46 14074.49 455.96 o
5 12 13 1559.15 2202.26 532.20 o
7 12 13 9624.52 9171.50 797.05 o
9 12 13 10233.67 10757.43 923.96 o
2 13 13 8751.16 8552.75 793.56 o
6 13 13 37509.75 36244.36 799.66 o
1 1 14 6083.83 6391.94 185.62 o
0 2 14 19742.13 19546.88 446.10 o
1 3 14 12046.58 11955.19 317.00 o
3 3 14 439.49 458.80 665.31 o
0 4 14 9072.84 8855.43 317.70 o
2 4 14 71388.03 72237.84 1065.58 o
1 5 14 1045.35 429.68 777.26 o
3 5 14 7532.48 7548.18 369.75 o
5 5 14 2156.67 1837.35 423.56 o
0 6 14 111.96 -69.13 114.86 o
2 6 14 4883.77 4725.81 324.12 o
4 6 14 14686.09 14454.54 365.99 o
1 7 14 7285.57 6990.89 447.34 o
3 7 14 4660.01 5008.83 224.17 o
5 7 14 322.99 1531.21 726.77 o
7 7 14 37190.02 34918.84 1113.28 o
0 8 14 15222.21 15124.16 407.59 o
2 8 14 1748.87 2136.10 255.07 o
4 8 14 9126.00 9423.20 577.84 o
6 8 14 4501.03 4811.26 1339.80 o
1 9 14 341.94 57.46 117.05 o
3 9 14 15248.74 15296.66 970.80 o
5 9 14 12156.80 12097.83 583.20 o
7 9 14 2292.00 1883.59 693.78 o
9 9 14 4943.99 5035.85 469.93 o
0 10 14 7068.73 6818.73 621.29 o
2 10 14 71.91 1128.27 894.32 o
4 10 14 5137.44 5396.29 324.90 o
6 10 14 7922.09 8052.21 285.48 o
1 11 14 8394.31 8359.13 339.66 o
3 11 14 803.33 -469.77 825.56 o
5 11 14 14745.50 14624.25 708.57 o
0 12 14 21565.94 21246.66 1453.92 o
2 12 14 3943.74 4439.60 714.62 o
6 12 14 32348.06 31935.87 774.80 o
8 12 14 22006.48 21139.95 1013.41 o
3 13 14 13099.61 13866.62 1163.17 o
7 13 14 5478.28 5321.05 763.06 o
4 14 14 9597.35 9752.77 764.55 o
1 2 15 19150.93 19722.65 530.69 o
2 3 15 31688.94 32221.01 547.23 o
1 4 15 1217.20 411.70 629.29 o
3 4 15 210.24 419.13 560.62 o
2 5 15 789.76 1084.55 591.28 o
4 5 15 3210.98 3126.35 270.52 o
1 6 15 1409.43 2183.99 506.16 o
3 6 15 10859.72 10967.06 539.94 o
5 6 15 2953.35 2142.96 721.82 o
2 7 15 17015.34 16884.20 390.57 o
4 7 15 520.00 1661.80 752.65 o
6 7 15 9944.90 9734.05 329.70 o
1 8 15 22341.11 23287.71 1872.32 o
3 8 15 1002.66 475.35 881.43 o
5 8 15 5831.69 5226.67 336.16 o
7 8 15 5805.34 5604.67 284.55 o
2 9 15 2.52 -282.82 892.04 o
4 9 15 1072.46 1347.34 879.39 o
6 9 15 17325.69 17189.70 1003.35 o
1 10 15 11577.72 11095.10 329.53 o
3 10 15 14504.99 14569.39 763.83 o
5 10 15 3982.31 4379.25 768.30 o
6 11 15 5829.91 5680.33 966.89 o
8 11 15 3966.71 4049.18 661.47 o
1 12 15 2363.16 1658.68 739.80 o
5 12 15 11888.75 11750.80 875.98 o
6 13 15 5409.82 4685.35 489.42 o
0 0 16 10706.21 10908.95 492.39 o
0 2 16 20141.36 20866.93 1128.19 o
2 2 16 2.75 13.82 265.81 o
1 3 16 4654.66 4494.14 276.25 o
0 4 16 22215.53 22101.09 515.51 o
2 4 16 32322.07 32113.21 540.58 o
4 4 16 3.53 68.05 752.76 o
1 5 16 7350.55 7643.35 255.48 o
3 5 16 876.84 1434.17 781.02 o
0 6 16 2238.30 2031.18 817.82 o
2 6 16 1930.18 1897.16 858.85 o
4 6 16 10448.50 10875.21 319.01 o
6 6 16 13523.35 13438.06 619.15 o
1 7 16 9679.87 9641.25 315.49 o
3 7 16 4221.77 4590.32 519.25 o
5 7 16 4540.35 4229.57 289.48 o
0 8 16 108673.52 109593.35 1074.54 o
2 8 16 36.60 272.21 844.27 o
4 8 16 14639.81 14583.71 369.41 o
8 8 16 96652.60 98545.47 4573.24 o
1 9 16 1472.46 1104.24 752.16 o
3 9 16 3908.88 3537.70 390.55 o
2 10 16 10543.08 11357.31 812.85 o
6 10 16 4398.25 5407.27 1475.94 o
5 11 16 6808.61 7065.79 422.01 o
7 11 16 8192.52 8232.36 412.08 o
0 12 16 46386.04 46883.12 906.44 o
2 12 16 11304.13 12021.07 1241.02 o
3 13 16 5281.74 6385.56 840.11 o
1 2 17 104.08 719.98 859.30 o
2 3 17 3598.49 3787.63 312.80 o
1 4 17 1610.51 2516.82 857.08 o
3 4 17 4423.05 4978.59 324.78 o
2 5 17 423.14 1022.78 895.07 o
4 5 17 14837.89 14522.54 398.19 o
1 6 17 1262.98 2025.10 811.53 o
3 6 17 9507.58 9187.61 292.50 o
5 6 17 9441.44 9786.60 428.04 o
2 7 17 4254.88 4383.48 636.22 o
4 7 17 7396.92 7696.57 348.68 o
6 7 17 15276.16 15430.02 456.32 o
3 8 17 6906.02 6517.67 356.99 o
2 9 17 7653.95 7505.68 422.77 o
3 10 17 6680.98 7051.16 511.00 o
5 10 17 6405.27 5889.00 369.37 o
1 1 18 4655.93 4840.98 328.39 o
0 2 18 180.45 353.14 814.77 o
1 3 18 4784.01 4609.35 503.18 o
3 3 18 22758.61 21669.50 583.90 o
0 4 18 4678.15 3688.48 516.46 o
2 4 18 10605.54 10543.39 274.87 o
0 6 18 7252.59 7509.68 347.77 o
2 6 18 2434.66 1690.20 580.06 o
4 6 18 20779.16 20917.42 602.68 o
1 7 18 4214.32 4152.62 506.54 o
3 7 18 11943.06 11982.22 1246.91 o
5 7 18 8627.94 8237.51 450.94 o
2 8 18 4428.05 5028.02 1026.62 o
4 8 18 20136.28 20257.63 501.04 o
6 8 18 14939.07 14123.86 387.63 o
5 9 18 3915.12 2832.55 724.19 o
0 10 18 18558.96 18271.28 738.64 o
2 10 18 19424.85 19117.36 902.31 o
2 3 19 12593.34 12226.06 579.58 o
1 4 19 1374.24 978.08 819.65 o
2 5 19 776.82 350.58 970.00 o
1 6 19 27111.34 27553.27 1686.09 o
3 6 19 3310.34 2659.66 495.40 o
2 7 19 8854.40 9436.42 520.42 o
3 8 19 6534.81 6321.27 1199.97 o
0 0 20 106409.73 106446.30 6749.60 o
0 2 20 36402.10 36589.75 825.52 o
2 2 20 45402.81 47928.06 843.23 o
0 4 20 17252.67 17768.53 451.37 o
2 4 20 2545.66 2365.14 717.14 o
4 4 20 6428.26 6558.79 766.73 o
1 5 20 3593.52 3538.90 519.26 o