#------------------------------------------------------------------------------
#$Date: 2024-09-26 04:48:28 +0300 (Thu, 26 Sep 2024) $
#$Revision: 294894 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/26/2312624.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_2312624
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.9525
_cell_length_b                   6.9525
_cell_length_c                   4.1962
_exptl_crystal_F_000             308.00
_reflns_d_resolution_high        0.6034
_cod_data_source_file            yh5035Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' mo_Y2MoSi2C_refait_N2_0m in P4/mbm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            200.09
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x-1/2, -y-1/2, z'
'-x-1/2, y-1/2, z'
'-y-1/2, -x-1/2, z'
'y-1/2, x-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 1 0 1162.76 1194.79 28.70 o
0 2 0 71.24 79.31 4.57 o
1 2 0 3036.71 2979.57 47.28 o
2 2 0 11861.18 10147.44 181.87 o
1 3 0 17029.98 14030.61 305.44 o
2 3 0 1522.26 1518.18 26.58 o
3 3 0 2446.12 2420.52 48.37 o
0 4 0 7.41 17.57 16.30 o
1 4 0 6551.17 6314.97 98.18 o
2 4 0 4946.06 4884.46 74.53 o
3 4 0 233.21 267.25 11.55 o
4 4 0 6415.37 6347.96 162.60 o
1 5 0 1447.05 1522.40 30.16 o
2 5 0 548.94 576.60 15.84 o
3 5 0 7904.49 7584.94 123.24 o
4 5 0 2155.36 2191.69 49.72 o
5 5 0 64.51 32.27 23.12 o
0 6 0 13425.60 12736.73 301.92 o
1 6 0 1784.80 1881.17 41.98 o
2 6 0 58.92 83.89 10.71 o
3 6 0 160.26 181.89 13.32 o
4 6 0 579.85 617.25 29.70 o
5 6 0 903.23 967.82 44.65 o
6 6 0 7093.39 6988.66 229.37 o
1 7 0 726.49 831.46 33.75 o
2 7 0 4445.74 4343.17 96.21 o
3 7 0 3016.38 3142.39 75.53 o
4 7 0 3292.94 3301.33 99.93 o
5 7 0 1642.30 1648.99 63.90 o
6 7 0 65.36 83.92 22.05 o
7 7 0 593.12 547.09 56.32 o
0 8 0 149.21 231.40 30.75 o
1 8 0 769.05 821.69 50.92 o
2 8 0 4354.27 4335.84 99.95 o
3 8 0 40.97 39.84 20.85 o
4 8 0 885.54 955.14 96.03 o
5 8 0 299.68 291.11 55.04 o
6 8 0 103.98 79.46 35.11 o
7 8 0 551.41 574.14 54.52 o
8 8 0 4526.21 4361.63 270.94 o
1 9 0 2069.52 2025.21 89.93 o
2 9 0 1157.57 1246.69 57.43 o
3 9 0 83.61 135.36 34.09 o
4 9 0 595.99 642.69 79.55 o
5 9 0 4258.87 4351.75 173.06 o
6 9 0 8.35 10.92 43.15 o
0 10 0 1226.61 1308.41 136.67 o
1 10 0 2714.96 2747.80 89.41 o
2 10 0 781.28 888.56 58.50 o
3 10 0 6.78 -9.49 34.18 o
4 10 0 744.85 756.50 75.42 o
1 11 0 323.08 243.09 46.65 o
2 11 0 380.78 328.18 83.25 o
0 0 1 468.97 451.79 18.38 o
1 1 1 3706.96 3899.75 57.70 o
0 2 1 15353.95 14021.59 200.53 o
1 2 1 11277.45 10906.92 124.02 o
2 2 1 228.08 259.74 8.90 o
1 3 1 616.67 649.74 16.10 o
2 3 1 83.41 84.34 4.33 o
3 3 1 13385.19 13053.79 188.39 o
0 4 1 1598.42 1766.88 34.27 o
1 4 1 6073.89 6089.95 70.34 o
2 4 1 918.82 1005.45 14.72 o
3 4 1 197.09 197.36 6.64 o
4 4 1 3676.36 3867.07 79.19 o
1 5 1 6702.94 6749.83 78.30 o
2 5 1 3725.39 3832.17 46.41 o
3 5 1 832.51 840.65 15.84 o
4 5 1 2048.68 2038.22 33.48 o
5 5 1 3453.67 3511.71 82.43 o
0 6 1 928.52 897.59 29.16 o
1 6 1 44.68 66.62 7.80 o
2 6 1 5827.25 5906.20 70.89 o
3 6 1 409.91 432.03 13.54 o
4 6 1 2429.55 2419.50 46.33 o
5 6 1 10.03 22.06 11.08 o
6 6 1 385.23 358.56 31.63 o
1 7 1 645.40 705.82 21.83 o
2 7 1 1290.36 1357.34 28.22 o
3 7 1 1436.45 1486.86 33.28 o
4 7 1 3074.91 3074.64 65.05 o
5 7 1 1855.87 1872.37 44.96 o
6 7 1 864.55 906.00 34.79 o
7 7 1 345.29 329.44 37.10 o
0 8 1 10081.55 9959.97 240.70 o
1 8 1 764.38 792.81 25.79 o
2 8 1 33.82 44.79 16.65 o
3 8 1 29.07 27.64 14.07 o
4 8 1 4.09 19.89 16.59 o
5 8 1 290.60 297.86 28.99 o
6 8 1 4012.33 3885.87 96.03 o
7 8 1 489.60 559.26 36.59 o
1 9 1 15.97 11.40 13.75 o
2 9 1 115.29 104.48 23.92 o
3 9 1 5788.72 5636.51 114.91 o
4 9 1 578.38 617.71 38.88 o
5 9 1 61.85 60.64 24.76 o
6 9 1 264.08 267.08 55.63 o
7 9 1 219.65 60.58 92.53 o
0 10 1 464.53 384.80 55.15 o
1 10 1 1002.13 1076.77 39.55 o
2 10 1 781.46 780.87 51.33 o
3 10 1 300.59 310.08 35.46 o
4 10 1 706.66 748.21 61.47 o
1 11 1 2186.81 1916.68 85.23 o
2 11 1 17.40 -43.31 103.18 o
0 0 2 40034.67 32576.62 752.35 o
1 1 2 532.85 543.44 15.80 o
0 2 2 49.54 62.90 7.86 o
1 2 2 2002.54 2094.93 28.24 o
2 2 2 7457.47 7356.49 114.08 o
1 3 2 11206.54 10798.27 122.83 o
2 3 2 1100.17 1137.84 22.26 o
3 3 2 1966.97 1976.91 47.27 o
0 4 2 11.39 9.56 7.20 o
1 4 2 4790.74 4739.07 59.91 o
2 4 2 3518.13 3612.84 52.32 o
3 4 2 179.58 187.08 10.38 o
4 4 2 4940.34 5016.66 90.50 o
1 5 2 1052.15 1064.78 20.76 o
2 5 2 432.53 468.13 14.27 o
3 5 2 6165.53 6114.80 70.36 o
4 5 2 1756.94 1716.32 29.31 o
5 5 2 62.84 77.36 17.30 o
0 6 2 10595.72 10211.81 184.01 o
1 6 2 1429.68 1429.84 34.92 o
2 6 2 48.23 53.64 8.81 o
3 6 2 127.55 125.85 11.90 o
4 6 2 455.13 468.48 18.36 o
5 6 2 743.84 774.04 25.56 o
6 6 2 5911.57 5638.40 119.47 o
1 7 2 575.91 591.55 19.39 o
2 7 2 3668.71 3549.92 59.46 o
3 7 2 2443.96 2410.96 53.45 o
4 7 2 2771.66 2736.93 58.58 o
5 7 2 1341.16 1354.91 41.28 o
6 7 2 59.03 38.99 18.54 o
7 7 2 491.03 501.51 49.36 o
0 8 2 125.95 182.11 31.78 o
1 8 2 647.74 667.96 26.97 o
2 8 2 3603.16 3404.25 67.42 o
3 8 2 34.57 35.87 19.32 o
4 8 2 739.15 707.22 36.59 o
5 8 2 255.48 247.67 25.19 o
6 8 2 99.88 74.26 24.86 o
7 8 2 473.45 442.91 40.61 o
1 9 2 1726.61 1777.56 50.46 o
2 9 2 972.14 1016.01 55.81 o
3 9 2 80.28 99.67 20.97 o
4 9 2 509.52 497.77 38.83 o
5 9 2 3580.82 3505.98 107.50 o
6 9 2 7.23 -70.56 70.56 o
0 10 2 1019.46 973.84 50.64 o
1 10 2 2308.26 2251.42 72.57 o
2 10 2 646.26 606.82 34.83 o
3 10 2 5.99 20.99 25.98 o
4 10 2 617.95 633.74 130.48 o
0 0 3 305.55 300.63 26.38 o
1 1 3 1647.49 1724.50 35.42 o
0 2 3 7249.82 7262.12 111.58 o
1 2 3 5613.63 5647.37 65.28 o
2 2 3 104.42 116.83 11.02 o
1 3 3 316.10 360.35 13.88 o
2 3 3 55.31 72.96 9.00 o
3 3 3 7672.40 7508.15 142.41 o
0 4 3 818.63 863.68 28.33 o
1 4 3 3580.50 3541.95 52.95 o
2 4 3 493.09 539.02 25.59 o
3 4 3 124.71 130.84 12.76 o
4 4 3 2257.57 2193.18 66.94 o
1 5 3 4064.74 3981.43 64.17 o
2 5 3 2393.08 2392.62 48.34 o
3 5 3 612.09 605.11 20.43 o
4 5 3 1400.70 1439.46 29.12 o
5 5 3 2335.52 2365.00 57.66 o
0 6 3 700.41 773.47 38.95 o
1 6 3 36.25 47.98 10.31 o
2 6 3 3809.49 3643.54 58.76 o
3 6 3 268.79 286.03 16.83 o
4 6 3 1617.36 1633.49 39.41 o
5 6 3 9.38 5.37 13.62 o
6 6 3 314.57 356.69 30.96 o
1 7 3 419.12 409.30 19.24 o
2 7 3 939.08 948.70 29.27 o
3 7 3 937.96 884.70 33.01 o
4 7 3 2202.66 2187.64 58.37 o
5 7 3 1255.98 1250.01 51.20 o
6 7 3 613.32 649.27 38.83 o
7 7 3 233.78 276.81 61.02 o
0 8 3 6933.72 6697.87 166.31 o
1 8 3 546.85 578.85 37.37 o
2 8 3 27.63 40.40 17.21 o
3 8 3 21.12 21.25 16.58 o
4 8 3 4.08 -14.36 17.31 o
5 8 3 212.33 228.65 27.45 o
6 8 3 2857.04 2696.52 103.12 o
1 9 3 13.07 39.39 19.92 o
2 9 3 91.53 127.28 24.49 o
3 9 3 4088.73 3913.63 104.65 o
4 9 3 424.83 404.31 48.13 o
5 9 3 47.96 93.53 102.52 o
0 10 3 313.70 340.84 141.46 o
1 10 3 754.10 767.96 96.71 o
0 0 4 15880.91 15746.88 391.70 o
1 1 4 137.10 172.44 14.63 o
0 2 4 52.02 53.24 14.24 o
1 2 4 909.58 905.22 23.82 o
2 2 4 3214.23 3260.85 65.06 o
1 3 4 5073.58 5036.41 72.54 o
2 3 4 548.40 570.78 20.74 o
3 3 4 1184.28 1123.25 51.28 o
0 4 4 17.53 11.30 16.98 o
1 4 4 2515.57 2507.77 50.21 o
2 4 4 1706.60 1690.49 35.88 o
3 4 4 99.50 98.71 16.99 o
4 4 4 2569.25 2397.24 77.89 o
1 5 4 493.78 495.20 23.02 o
2 5 4 268.34 233.16 20.43 o
3 5 4 3413.57 3380.39 66.70 o
4 5 4 1039.28 1069.61 42.14 o
5 5 4 54.11 27.45 20.59 o
0 6 4 5903.75 5680.04 145.18 o
1 6 4 797.43 795.39 28.12 o
2 6 4 34.71 64.55 13.94 o
3 6 4 66.57 78.25 14.89 o
4 6 4 237.94 233.55 21.70 o
5 6 4 432.93 486.67 34.94 o
6 6 4 3521.80 3329.51 191.74 o
1 7 4 313.52 287.38 20.13 o
2 7 4 2168.07 2179.58 50.26 o
3 7 4 1365.57 1391.29 39.96 o
4 7 4 1709.91 1783.41 51.13 o
5 7 4 753.27 712.84 36.02 o
6 7 4 43.07 67.80 48.97 o
0 8 4 87.17 74.68 39.70 o
1 8 4 400.32 458.65 56.11 o
2 8 4 2110.01 2084.85 61.28 o
3 8 4 21.38 1.45 20.26 o
4 8 4 434.74 390.09 41.23 o
1 9 4 1021.07 960.93 98.52 o
0 0 5 224.09 210.12 36.86 o
1 1 5 623.75 662.63 32.34 o
0 2 5 2976.94 2958.66 87.60 o
1 2 5 2447.98 2438.76 45.18 o
2 2 5 33.54 45.75 22.28 o
1 3 5 109.03 118.75 15.66 o
2 3 5 21.59 42.01 16.43 o
3 3 5 3571.53 3485.54 99.98 o
0 4 5 363.86 330.10 47.90 o
1 4 5 1731.59 1772.95 44.36 o
2 4 5 193.70 164.46 20.87 o
3 4 5 62.56 56.45 19.08 o
4 4 5 985.09 921.21 61.70 o
1 5 5 1839.81 1745.17 50.63 o
2 5 5 1154.21 1129.30 43.68 o
3 5 5 356.81 409.86 31.97 o
4 5 5 728.96 821.12 44.60 o
5 5 5 1159.74 1160.00 65.07 o
0 6 5 432.39 461.40 38.12 o
1 6 5 26.83 56.01 20.52 o
2 6 5 1840.67 1833.65 49.52 o
3 6 5 126.21 158.73 22.60 o
4 6 5 775.20 721.23 44.32 o
5 6 5 7.91 -24.30 52.26 o
1 7 5 192.74 195.29 21.26 o
2 7 5 528.49 487.27 34.58 o
3 7 5 429.12 445.32 137.13 o
1 1 6 42.33 70.17 40.57 o
0 2 6 45.97 16.09 21.78 o
1 2 6 427.66 474.68 33.12 o
2 2 6 1244.40 1327.75 74.05 o
1 3 6 1969.44 2004.95 56.41 o
2 3 6 214.38 231.11 30.68 o
3 3 6 588.00 687.30 60.22 o
0 4 6 12.47 63.46 33.00 o
1 4 6 1111.56 1089.12 44.48 o
2 4 6 667.12 686.25 41.49 o
3 4 6 44.57 239.32 133.14 o
1 5 6 174.32 191.34 45.04 o
2 5 6 140.44 337.28 78.90 o