#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/32/2013239.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_2013239_Fobs
loop_
_publ_author_name
'Liu, Zhicheng'
'Weng, Linhong'
'Chen, Zhenxia'
'Zhao, Dongyuan'
_publ_section_title
;
 (NH~4~)~2~ZrGe~3~O~9~: a new microporous zirconogermanate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i29
_journal_page_last               i31
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   7.1167
_cell_length_b                   7.1167
_cell_length_c                   10.5416
_exptl_crystal_F_000             444.00
_reflns_d_resolution_high        0.7798
_[local]_cod_data_source_file    bc1005Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' f30120a in P6(3)/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            175.85
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
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 1 0 5553.60 6603.82 118.58 o
-1 2 0 11.67 48.41 41.40 o
0 2 0 12.99 18.48 40.85 o
-2 3 0 16878.78 19083.82 264.77 o
-1 3 0 43.47 79.44 49.03 o
0 3 0 4821.40 5392.71 166.86 o
-3 4 0 14879.60 16098.14 278.41 o
-2 4 0 7196.25 7480.91 245.66 o
-1 4 0 502.86 744.00 102.63 o
0 4 0 1004.52 1235.32 154.51 o
-4 5 0 74.37 296.77 94.85 o
-3 5 0 6.92 88.27 76.18 o
-2 5 0 359.07 403.50 102.64 o
-1 5 0 15673.72 16257.25 383.46 o
0 5 0 1689.21 1723.03 191.80 o
-5 6 0 685.38 870.13 148.38 o
-4 6 0 2763.49 3262.90 256.64 o
-3 6 0 17.23 55.77 102.07 o
-2 6 0 2791.49 2955.13 285.54 o
-1 6 0 7618.93 8345.82 343.09 o
0 6 0 40.03 288.84 109.54 o
-6 7 0 24.26 210.85 113.46 o
-5 7 0 7814.36 7582.98 386.46 o
-4 7 0 3413.96 4043.61 362.06 o
-3 7 0 10.62 412.07 131.27 o
-2 7 0 177.93 212.37 114.77 o
-1 7 0 5.13 156.30 99.72 o
0 7 0 388.15 674.47 157.17 o
-7 8 0 965.64 878.95 203.83 o
-6 8 0 81.32 165.49 112.05 o
-5 8 0 299.14 407.64 140.93 o
-4 8 0 204.89 233.64 148.59 o
-3 8 0 896.34 848.61 195.71 o
-2 8 0 10.81 239.95 140.30 o
-1 8 0 667.91 950.74 220.95 o
-5 9 0 7.32 188.59 146.09 o
-4 9 0 3604.30 3001.59 399.44 o
0 1 1 4455.03 3950.05 64.75 o
-1 2 1 8578.97 9060.24 122.28 o
0 2 1 13190.00 13459.04 166.37 o
-2 3 1 3028.12 3311.14 92.26 o
-1 3 1 326.82 397.58 49.00 o
0 3 1 884.13 900.25 73.05 o
-3 4 1 487.03 646.98 65.10 o
-2 4 1 0.04 87.58 39.50 o
-1 4 1 11614.27 11692.04 190.70 o
0 4 1 70.99 122.07 47.33 o
-4 5 1 5319.97 5525.19 183.98 o
-3 5 1 2210.26 2316.81 139.37 o
-2 5 1 2190.41 2643.31 135.30 o
-1 5 1 261.68 469.66 71.47 o
0 5 1 1328.95 1593.22 133.30 o
-5 6 1 97.85 109.54 65.97 o
-4 6 1 136.50 243.01 78.46 o
-3 6 1 843.97 985.25 119.34 o
-2 6 1 123.37 156.63 68.64 o
-1 6 1 6.90 340.41 71.43 o
0 6 1 2306.64 2622.81 190.23 o
-6 7 1 1357.81 1378.34 152.43 o
-5 7 1 136.29 612.58 104.32 o
-4 7 1 51.94 200.73 88.86 o
-3 7 1 4950.46 5038.59 281.75 o
-2 7 1 81.42 185.86 82.31 o
-1 7 1 1897.91 1936.79 179.37 o
0 7 1 684.24 754.52 124.48 o
-7 8 1 490.84 520.86 120.88 o
-6 8 1 1989.26 2158.23 229.54 o
-5 8 1 925.19 1010.29 145.55 o
-4 8 1 26.92 136.74 86.22 o
-3 8 1 84.39 265.82 94.97 o
-2 8 1 1946.16 2045.97 201.46 o
-1 8 1 428.44 444.56 115.17 o
-5 9 1 1722.11 1967.47 243.44 o
-4 9 1 29.58 418.43 128.89 o
0 0 2 14643.51 14468.70 303.74 o
0 1 2 5217.79 4771.48 82.02 o
-1 2 2 16581.52 16990.88 163.99 o
0 2 2 5409.63 4718.84 96.44 o
-2 3 2 3307.87 3019.77 83.67 o
-1 3 2 3073.85 2899.87 81.90 o
0 3 2 3990.33 4089.93 113.39 o
-3 4 2 346.96 363.66 55.10 o
-2 4 2 160.07 224.38 47.17 o
-1 4 2 11004.31 10606.29 266.92 o
0 4 2 6755.68 6844.01 205.09 o
-4 5 2 9944.75 9325.07 226.13 o
-3 5 2 4256.35 4246.55 163.44 o
-2 5 2 5452.64 5218.69 162.15 o
-1 5 2 584.76 512.96 78.36 o
0 5 2 1401.62 1497.19 130.45 o
-5 6 2 776.99 800.22 110.85 o
-4 6 2 6.05 70.95 66.55 o
-3 6 2 4557.90 4221.52 222.62 o
-2 6 2 5.82 2.88 57.72 o
-1 6 2 1139.52 1098.75 125.29 o
0 6 2 4064.50 4064.10 226.98 o
-6 7 2 2093.91 2231.74 217.17 o
-5 7 2 1108.50 1066.65 156.60 o
-4 7 2 56.18 160.13 79.39 o
-3 7 2 3194.98 3178.06 226.72 o
-2 7 2 2178.07 2180.73 191.54 o
-1 7 2 1589.42 1558.71 174.63 o
0 7 2 548.18 555.39 120.87 o
-7 8 2 564.61 546.38 125.65 o
-6 8 2 2297.92 2254.36 245.89 o
-5 8 2 795.39 750.12 137.79 o
-4 8 2 2911.91 2814.07 240.43 o
-3 8 2 632.28 731.24 126.03 o
-2 8 2 1785.67 1784.38 191.46 o
-1 8 2 441.10 502.94 115.97 o
-5 9 2 1804.09 1584.91 251.00 o
-4 9 2 151.21 307.88 111.93 o
0 1 3 5770.58 6062.91 108.27 o
-1 2 3 698.88 599.08 54.38 o
0 2 3 6065.10 5536.48 95.03 o
-2 3 3 256.54 313.94 38.47 o
-1 3 3 750.34 821.16 59.28 o
0 3 3 1180.16 1352.25 82.26 o
-3 4 3 279.77 273.34 46.43 o
-2 4 3 137.39 182.77 51.11 o
-1 4 3 12919.48 11927.01 209.37 o
0 4 3 292.98 315.02 63.18 o
-4 5 3 4567.44 4606.55 182.49 o
-3 5 3 3335.80 3218.10 157.62 o
-2 5 3 6646.78 5883.48 186.05 o
-1 5 3 42.72 75.82 57.02 o
0 5 3 561.08 756.19 126.37 o
-5 6 3 52.05 36.33 78.76 o
-4 6 3 15.72 59.72 67.49 o
-3 6 3 2731.82 2794.30 188.84 o
-2 6 3 9.05 57.00 60.32 o
-1 6 3 39.77 101.76 73.25 o
0 6 3 2911.18 2685.17 229.20 o
-6 7 3 675.77 782.90 133.76 o
-5 7 3 68.38 59.07 79.49 o
-4 7 3 186.50 184.19 93.51 o
-3 7 3 3262.91 3097.05 210.21 o
-2 7 3 13.76 134.95 73.06 o
-1 7 3 355.97 534.80 114.21 o
0 7 3 581.12 720.45 141.60 o
-7 8 3 638.77 817.94 148.11 o
-6 8 3 2979.85 2962.81 284.25 o
-5 8 3 739.77 874.92 151.46 o
-4 8 3 23.75 97.75 87.87 o
-3 8 3 258.30 395.36 102.69 o
-2 8 3 1557.97 1535.87 199.18 o
-1 8 3 329.88 566.54 135.15 o
0 0 4 30923.14 31289.62 597.10 o
0 1 4 412.63 389.33 37.10 o
-1 2 4 281.86 301.09 39.96 o
0 2 4 1419.60 1561.11 72.01 o
-2 3 4 22879.53 23094.68 260.16 o
-1 3 4 2530.77 2535.71 110.71 o
0 3 4 1479.88 1668.28 84.62 o
-3 4 4 6615.61 6128.66 172.71 o
-2 4 4 7671.36 7116.16 199.22 o
-1 4 4 485.83 477.97 70.71 o
0 4 4 651.72 581.31 83.56 o
-4 5 4 856.88 699.39 111.98 o
-3 5 4 99.82 160.47 60.41 o
-2 5 4 59.58 119.31 57.51 o
-1 5 4 7609.63 7073.21 201.41 o
0 5 4 228.73 260.60 89.41 o
-5 6 4 870.71 827.13 134.39 o
-4 6 4 3915.69 4022.52 250.98 o
-3 6 4 174.21 299.08 92.14 o
-2 6 4 4042.27 3957.67 189.58 o
-1 6 4 7757.33 7705.29 306.00 o
0 6 4 12.39 11.59 76.29 o
-6 7 4 90.13 46.94 86.05 o
-5 7 4 8346.71 7891.52 325.72 o
-4 7 4 3551.20 3307.63 239.06 o
-3 7 4 15.32 167.91 83.23 o
-2 7 4 218.43 207.21 93.18 o
-1 7 4 229.10 347.56 103.76 o
0 7 4 572.33 530.60 113.21 o
-7 8 4 342.56 342.98 150.78 o
-6 8 4 3.85 79.73 104.79 o
-5 8 4 265.64 209.80 96.02 o
-4 8 4 84.92 113.75 92.21 o
-3 8 4 201.74 333.51 137.80 o
-2 8 4 21.32 275.13 195.50 o
-1 8 4 633.06 689.23 232.11 o
0 1 5 1542.01 1642.95 70.57 o
-1 2 5 1812.57 1873.93 84.21 o
0 2 5 8117.41 7734.57 143.17 o
-2 3 5 162.56 210.05 47.97 o
-1 3 5 594.57 674.07 73.18 o
0 3 5 902.55 796.21 83.80 o
-3 4 5 714.39 840.83 106.28 o
-2 4 5 88.40 99.97 52.61 o
-1 4 5 7525.25 6814.17 192.50 o
0 4 5 7.39 2.23 59.08 o
-4 5 5 3736.72 3766.00 204.28 o
-3 5 5 3009.48 2774.27 181.27 o
-2 5 5 2503.78 2510.44 162.19 o
-1 5 5 65.27 78.08 67.62 o
0 5 5 1006.28 900.36 120.70 o
-5 6 5 27.43 59.63 79.37 o
-4 6 5 63.84 194.77 98.13 o
-3 6 5 1687.56 1660.73 163.36 o
-2 6 5 11.27 112.88 82.02 o
-1 6 5 49.76 140.63 79.50 o
0 6 5 2105.26 1918.15 191.94 o
-6 7 5 430.87 387.79 117.72 o
-5 7 5 2.05 -3.69 91.36 o
-4 7 5 16.28 103.66 83.64 o
-3 7 5 3346.38 3188.60 286.54 o
-2 7 5 0.59 -40.53 90.51 o
-1 7 5 746.28 834.11 138.36 o
0 7 5 662.57 481.22 140.94 o
-6 8 5 1897.49 1780.19 218.35 o
-5 8 5 381.74 329.87 114.95 o
-4 8 5 16.26 120.54 100.11 o
-3 8 5 93.44 150.53 125.38 o
-2 8 5 931.55 1064.24 187.26 o
0 0 6 14289.13 14421.51 464.00 o
0 1 6 2353.93 2523.11 85.29 o
-1 2 6 7363.68 6996.03 143.60 o
0 2 6 5868.51 5527.47 164.33 o
-2 3 6 1198.75 1261.80 124.90 o
-1 3 6 3538.78 3450.84 135.03 o
0 3 6 942.11 1045.28 104.93 o
-3 4 6 259.74 251.72 76.05 o
-2 4 6 40.17 53.68 63.72 o
-1 4 6 6981.19 6365.40 211.95 o
0 4 6 3048.17 2774.94 183.86 o
-4 5 6 4271.82 4062.29 237.14 o
-3 5 6 3679.77 3573.79 210.06 o
-2 5 6 4630.55 4335.26 271.52 o
-1 5 6 548.28 511.97 104.33 o
0 5 6 979.76 1041.24 130.65 o
-5 6 6 1000.19 905.71 145.34 o
-4 6 6 66.39 73.12 85.70 o
-3 6 6 2883.32 2736.10 236.21 o
-2 6 6 55.81 137.70 90.98 o
-1 6 6 387.09 451.02 102.88 o
0 6 6 2712.29 2676.51 227.88 o
-6 7 6 1836.57 1778.49 186.59 o
-5 7 6 680.30 719.58 138.26 o
-4 7 6 10.44 24.26 91.55 o
-3 7 6 2211.33 2206.00 238.24 o
-2 7 6 1188.03 1016.24 175.80 o
-1 7 6 1678.05 1712.43 238.66 o
0 7 6 432.77 528.33 140.84 o
-5 8 6 660.54 605.42 135.91 o
-4 8 6 1199.79 1195.94 181.57 o
-3 8 6 316.83 463.99 226.88 o
0 1 7 2085.64 2140.22 110.72 o
-1 2 7 4043.30 4020.63 154.67 o
0 2 7 4298.63 4170.00 160.86 o
-2 3 7 518.90 485.95 83.95 o
-1 3 7 429.18 448.79 84.77 o
0 3 7 564.52 732.33 96.84 o
-3 4 7 75.20 106.81 68.24 o
-2 4 7 1.61 142.19 83.04 o
-1 4 7 5838.20 5312.03 248.69 o
0 4 7 85.90 73.89 73.85 o
-4 5 7 2966.27 3078.25 223.74 o
-3 5 7 710.43 702.67 115.64 o
-2 5 7 975.61 874.08 137.27 o
-1 5 7 151.88 95.28 85.21 o
0 5 7 513.96 505.95 104.66 o
-5 6 7 30.88 58.20 79.50 o
-4 6 7 2.91 117.61 95.31 o
-3 6 7 334.59 327.12 103.02 o
-2 6 7 137.46 169.50 89.02 o
-1 6 7 60.91 78.75 89.61 o
0 6 7 1217.21 1256.13 168.80 o
-6 7 7 974.05 1002.82 153.97 o
-5 7 7 124.45 123.38 108.34 o
-4 7 7 64.05 73.03 97.70 o
-3 7 7 2362.48 2294.46 224.62 o
-2 7 7 78.90 111.17 92.56 o
-1 7 7 1047.83 1020.61 166.56 o
0 0 8 26390.87 25528.88 1117.94 o
0 1 8 2158.79 2211.88 143.95 o
-1 2 8 73.22 54.62 58.66 o
0 2 8 80.99 150.34 69.32 o
-2 3 8 9073.48 8665.74 244.59 o
-1 3 8 318.32 385.26 91.76 o
0 3 8 806.44 871.63 115.81 o
-3 4 8 5714.68 5629.82 265.01 o
-2 4 8 2005.19 2053.00 195.64 o
-1 4 8 23.34 90.44 81.33 o
0 4 8 404.01 290.28 94.31 o
-4 5 8 12.36 34.36 78.16 o
-3 5 8 44.51 117.19 82.12 o
-2 5 8 4.03 76.54 82.26 o
-1 5 8 4664.13 4554.61 303.92 o
0 5 8 1094.85 992.85 153.00 o
-5 6 8 534.58 525.46 125.94 o
-4 6 8 1931.92 1742.32 213.64 o
-3 6 8 26.50 63.86 85.35 o
-2 6 8 1862.71 1530.03 186.91 o
-1 6 8 4376.72 4332.40 315.98 o
0 6 8 28.02 225.59 105.70 o
-5 7 8 3188.88 3069.82 318.29 o
-4 7 8 1937.54 2088.66 239.26 o
-3 7 8 9.47 213.85 97.69 o
-2 7 8 36.39 42.05 90.37 o
0 1 9 916.32 1070.51 149.21 o
-1 2 9 1331.33 1450.52 151.73 o
0 2 9 2685.45 2771.82 204.29 o
-2 3 9 58.16 101.74 77.53 o
-1 3 9 0.44 60.75 73.09 o
0 3 9 466.09 540.85 134.09 o
-3 4 9 87.92 153.31 89.70 o
-2 4 9 1.98 54.69 68.91 o
-1 4 9 3194.62 3450.03 264.91 o
0 4 9 24.71 93.87 92.22 o
-4 5 9 2029.37 2313.62 234.21 o
-3 5 9 972.54 1009.35 150.55 o
-2 5 9 1120.17 1178.92 154.89 o
-1 5 9 54.24 -14.53 76.61 o
0 5 9 329.38 352.50 123.61 o
-5 6 9 1.18 163.52 104.21 o
-4 6 9 26.14 96.01 112.60 o
-3 6 9 458.51 436.47 115.24 o
-2 6 9 20.55 30.75 82.78 o
-1 6 9 4.93 95.60 90.38 o
0 0 10 1631.35 1789.65 562.74 o
0 1 10 1591.01 1781.49 209.12 o
-1 2 10 2105.26 2416.62 241.66 o
0 2 10 2127.69 2411.87 239.46 o
-2 3 10 631.09 990.59 138.31 o
-1 3 10 1155.98 1278.03 177.42 o
0 3 10 699.68 923.84 156.99 o
-3 4 10 26.85 16.94 78.87 o
-2 4 10 3.51 32.28 78.32 o
-1 4 10 3493.12 3703.37 343.81 o
0 4 10 3068.94 2874.92 276.84 o
-4 5 10 2657.21 2614.93 264.13 o
-3 5 10 1760.03 1562.22 174.31 o
-2 5 10 1655.89 1563.99 198.28 o
-1 5 10 90.88 97.10 99.25 o
0 5 10 764.44 683.82 143.22 o
-4 6 10 12.51 291.01 175.41 o
-3 6 10 1007.84 1136.42 177.91 o
-2 6 10 13.61 177.81 96.86 o
0 1 11 388.64 248.29 121.82 o
-1 2 11 363.40 414.37 125.79 o
0 2 11 1645.71 1972.96 260.55 o
-2 3 11 13.16 -56.50 104.05 o
-1 3 11 210.50 145.31 118.95 o
0 3 11 330.86 532.56 166.45 o
-3 4 11 134.02 121.93 99.23 o
-2 4 11 14.53 65.78 91.91 o
-1 4 11 1917.86 2047.48 244.74 o
0 4 11 3.57 113.79 108.38 o
-4 5 11 1191.69 1118.17 236.97 o
-3 5 11 995.66 1137.04 163.61 o
-2 5 11 933.96 1067.57 176.50 o
-1 5 11 8.97 169.94 127.28 o
0 0 12 5518.69 5584.28 975.73 o
0 1 12 441.98 516.62 183.26 o
-1 2 12 41.07 5.53 109.89 o
0 2 12 163.03 276.17 112.00 o
-2 3 12 4463.16 5202.44 425.95 o
-1 3 12 431.74 406.84 132.17 o
0 3 12 479.13 567.45 163.11 o
-3 4 12 1795.57 1998.23 329.05 o
-2 4 12 1342.19 1403.57 218.46 o
-1 4 12 5.40 29.97 121.67 o
0 1 13 365.42 467.12 142.05 o
-1 2 13 531.66 608.38 162.45 o
0 2 13 767.86 848.32 225.18 o