#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:20:17 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180851 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/82/2018287.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_2018287_Fobs
loop_
_publ_author_name
'Zheng, Yanzhen'
'Ellern, Arkady'
'K\"ogerler, Paul'
_publ_section_title
;
 A spin-frustrated cobalt(II) carbonate pyrochlore network
;
_journal_coeditor_code           FN3091
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i56
_journal_page_last               i58
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   13.9959
_cell_length_b                   13.9959
_cell_length_c                   13.9959
_exptl_crystal_F_000             2192.00
_reflns_d_resolution_high        0.7513
_cod_data_source_file            fn3091Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' YZ105 in Fd-3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            867.76
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/4, -y+1/4, z'
'-x+1/4, y, -z+1/4'
'x, -y+1/4, -z+1/4'
'z, x, y'
'z, -x+1/4, -y+1/4'
'-z+1/4, -x+1/4, y'
'-z+1/4, x, -y+1/4'
'y, z, x'
'-y+1/4, z, -x+1/4'
'y, -z+1/4, -x+1/4'
'-y+1/4, -z+1/4, x'
'x, y+1/2, z+1/2'
'-x+1/4, -y+3/4, z+1/2'
'-x+1/4, y+1/2, -z+3/4'
'x, -y+3/4, -z+3/4'
'z, x+1/2, y+1/2'
'z, -x+3/4, -y+3/4'
'-z+1/4, -x+3/4, y+1/2'
'-z+1/4, x+1/2, -y+3/4'
'y, z+1/2, x+1/2'
'-y+1/4, z+1/2, -x+3/4'
'y, -z+3/4, -x+3/4'
'-y+1/4, -z+3/4, x+1/2'
'x+1/2, y, z+1/2'
'-x+3/4, -y+1/4, z+1/2'
'-x+3/4, y, -z+3/4'
'x+1/2, -y+1/4, -z+3/4'
'z+1/2, x, y+1/2'
'z+1/2, -x+1/4, -y+3/4'
'-z+3/4, -x+1/4, y+1/2'
'-z+3/4, x, -y+3/4'
'y+1/2, z, x+1/2'
'-y+3/4, z, -x+3/4'
'y+1/2, -z+1/4, -x+3/4'
'-y+3/4, -z+1/4, x+1/2'
'x+1/2, y+1/2, z'
'-x+3/4, -y+3/4, z'
'-x+3/4, y+1/2, -z+1/4'
'x+1/2, -y+3/4, -z+1/4'
'z+1/2, x+1/2, y'
'z+1/2, -x+3/4, -y+1/4'
'-z+3/4, -x+3/4, y'
'-z+3/4, x+1/2, -y+1/4'
'y+1/2, z+1/2, x'
'-y+3/4, z+1/2, -x+1/4'
'y+1/2, -z+3/4, -x+1/4'
'-y+3/4, -z+3/4, x'
'-x, -y, -z'
'x-1/4, y-1/4, -z'
'x-1/4, -y, z-1/4'
'-x, y-1/4, z-1/4'
'-z, -x, -y'
'-z, x-1/4, y-1/4'
'z-1/4, x-1/4, -y'
'z-1/4, -x, y-1/4'
'-y, -z, -x'
'y-1/4, -z, x-1/4'
'-y, z-1/4, x-1/4'
'y-1/4, z-1/4, -x'
'-x, -y+1/2, -z+1/2'
'x-1/4, y+1/4, -z+1/2'
'x-1/4, -y+1/2, z+1/4'
'-x, y+1/4, z+1/4'
'-z, -x+1/2, -y+1/2'
'-z, x+1/4, y+1/4'
'z-1/4, x+1/4, -y+1/2'
'z-1/4, -x+1/2, y+1/4'
'-y, -z+1/2, -x+1/2'
'y-1/4, -z+1/2, x+1/4'
'-y, z+1/4, x+1/4'
'y-1/4, z+1/4, -x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/4, y-1/4, -z+1/2'
'x+1/4, -y, z+1/4'
'-x+1/2, y-1/4, z+1/4'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x-1/4, y+1/4'
'z+1/4, x-1/4, -y+1/2'
'z+1/4, -x, y+1/4'
'-y+1/2, -z, -x+1/2'
'y+1/4, -z, x+1/4'
'-y+1/2, z-1/4, x+1/4'
'y+1/4, z-1/4, -x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/4, y+1/4, -z'
'x+1/4, -y+1/2, z-1/4'
'-x+1/2, y+1/4, z-1/4'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/4, y-1/4'
'z+1/4, x+1/4, -y'
'z+1/4, -x+1/2, y-1/4'
'-y+1/2, -z+1/2, -x'
'y+1/4, -z+1/2, x-1/4'
'-y+1/2, z+1/4, x-1/4'
'y+1/4, z+1/4, -x'
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 1 77046.72 74768.43 550.76 o
0 2 2 21836.25 23253.88 110.52 o
2 2 2 112014.69 109780.16 680.09 o
1 1 3 6704.67 7038.44 27.13 o
1 3 3 593.91 1128.37 10.14 o
3 3 3 113887.59 117690.48 1085.83 o
0 0 4 218385.06 213030.41 1498.79 o
2 2 4 24012.85 23932.13 90.68 o
0 4 4 611269.88 553111.44 3975.13 o
2 4 4 542.70 380.08 6.69 o
4 4 4 5241.15 7379.60 57.66 o
1 1 5 86059.03 85646.30 320.63 o
3 1 5 26239.36 27888.08 109.06 o
1 3 5 6545.56 7907.47 37.50 o
3 3 5 6446.62 7431.54 36.51 o
1 5 5 96.23 141.45 8.95 o
3 5 5 17336.59 17184.76 72.66 o
5 5 5 92750.36 93221.14 602.49 o
2 0 6 5000.56 6229.21 46.11 o
0 2 6 39576.52 41425.46 236.54 o
2 2 6 256908.83 250735.75 920.39 o
4 2 6 2727.13 3175.96 20.61 o
2 4 6 22581.10 23125.31 95.69 o
4 4 6 357.81 445.09 9.10 o
0 6 6 331.09 459.28 18.07 o
2 6 6 259808.39 253633.47 982.07 o
4 6 6 18925.67 18902.67 83.99 o
6 6 6 215039.75 209872.06 1614.22 o
1 1 7 49051.28 51759.70 202.21 o
3 1 7 1770.83 1781.26 15.41 o
5 1 7 414.40 414.33 9.14 o
1 3 7 208.32 338.58 7.33 o
3 3 7 25268.62 24818.16 105.87 o
5 3 7 8304.12 7943.91 41.91 o
1 5 7 44940.30 46516.41 191.60 o
3 5 7 15096.04 15498.87 74.08 o
5 5 7 107.91 146.62 8.23 o
1 7 7 56780.11 56661.50 227.90 o
3 7 7 6458.14 6466.96 39.95 o
5 7 7 7168.90 7316.78 45.15 o
7 7 7 14491.18 14301.05 134.65 o
0 0 8 753006.62 713685.38 6016.69 o
4 0 8 74432.94 73169.95 413.59 o
2 2 8 34695.49 34420.77 134.22 o
4 2 8 3840.83 3996.42 26.73 o
6 2 8 2003.08 2018.24 19.26 o
0 4 8 44505.79 44553.34 254.13 o
2 4 8 16954.79 17899.95 78.71 o
4 4 8 254433.38 241214.72 927.40 o
6 4 8 9605.59 9691.24 52.83 o
2 6 8 17568.79 17081.07 77.70 o
4 6 8 248.01 294.61 10.18 o
6 6 8 4188.12 4182.97 31.39 o
0 8 8 270051.59 259512.28 1432.32 o
2 8 8 2385.22 2450.94 22.34 o
4 8 8 57354.09 55589.68 241.46 o
6 8 8 4953.67 4840.84 39.94 o
8 8 8 123704.94 120207.80 915.92 o
1 1 9 293.01 278.40 8.62 o
3 1 9 30115.81 29725.97 123.37 o
5 1 9 53511.75 53908.65 208.91 o
7 1 9 5185.94 5322.06 36.55 o
1 3 9 5754.53 5800.81 35.01 o
3 3 9 696.46 738.60 13.31 o
5 3 9 1471.78 1435.70 16.94 o
7 3 9 419.66 490.05 11.91 o
1 5 9 4751.53 4836.35 32.46 o
3 5 9 9928.31 9986.41 56.09 o
5 5 9 2782.95 2692.38 23.58 o
7 5 9 487.41 525.08 13.95 o
1 7 9 6582.84 6281.16 40.46 o
3 7 9 8967.86 8721.13 51.23 o
5 7 9 14171.99 13718.01 76.32 o
7 7 9 34785.95 33948.59 169.07 o
1 9 9 12310.70 12102.20 68.22 o
3 9 9 8994.01 8806.74 57.01 o
5 9 9 29864.11 29550.15 148.74 o
7 9 9 4090.46 3837.52 40.82 o
9 9 9 3217.64 3160.69 71.20 o
2 0 10 7219.17 7142.29 56.85 o
6 0 10 760.63 831.35 19.88 o
0 2 10 7748.49 8271.05 64.10 o
2 2 10 80355.12 78318.30 297.28 o
4 2 10 9151.62 9261.20 50.69 o
6 2 10 70170.66 70310.19 282.92 o
8 2 10 910.54 845.13 17.08 o
2 4 10 1022.82 1075.60 15.55 o
4 4 10 2139.84 2063.42 22.34 o
6 4 10 23776.96 23180.05 109.90 o
8 4 10 4359.76 4331.50 39.21 o
0 6 10 8833.00 8116.13 66.73 o
2 6 10 97429.46 95729.94 398.74 o
4 6 10 2051.38 2183.10 23.76 o
6 6 10 79855.68 79145.56 342.62 o
8 6 10 501.42 502.03 17.41 o
2 8 10 8974.13 8980.41 57.28 o
4 8 10 733.88 673.55 17.18 o
6 8 10 768.16 713.19 19.07 o
8 8 10 1611.34 1522.55 28.53 o
0 10 10 2492.25 2468.85 45.52 o
2 10 10 52671.62 53282.65 251.72 o
4 10 10 598.97 586.93 19.31 o
6 10 10 50820.43 51546.94 254.38 o
8 10 10 26.30 35.58 14.25 o
10 10 10 47348.12 48219.11 446.75 o
1 1 11 847.41 921.15 14.52 o
3 1 11 1144.03 1127.56 16.57 o
5 1 11 1066.97 1116.06 16.80 o
7 1 11 5980.76 5934.28 46.14 o
9 1 11 6113.39 5922.06 49.23 o
1 3 11 13523.95 13763.26 69.62 o
3 3 11 3891.12 3900.18 30.31 o
5 3 11 2793.09 2632.67 28.58 o
7 3 11 16688.22 16697.65 90.50 o
9 3 11 5784.87 5685.19 50.40 o
1 5 11 4034.73 4086.07 33.88 o
3 5 11 1674.67 1592.94 22.42 o
5 5 11 489.29 574.97 15.24 o
7 5 11 6366.53 6403.77 50.48 o
9 5 11 1468.08 1525.95 27.65 o
1 7 11 540.30 662.75 16.06 o
3 7 11 29413.08 28855.92 139.20 o
5 7 11 15075.60 15226.53 91.02 o
7 7 11 13520.84 12938.34 84.96 o
9 7 11 5749.62 5757.76 54.87 o
1 9 11 111.32 189.19 15.38 o
3 9 11 201.26 172.64 13.40 o
5 9 11 3802.88 3690.46 39.61 o
7 9 11 169.83 185.97 15.52 o
9 9 11 2002.71 2050.54 35.80 o
1 11 11 11392.72 11494.67 83.84 o
3 11 11 117.39 135.85 16.17 o
5 11 11 240.89 223.64 17.85 o
7 11 11 11140.76 11130.25 86.48 o
9 11 11 3680.71 3856.93 49.92 o
0 0 12 28895.52 29001.88 260.85 o
4 0 12 171605.70 169096.94 911.80 o
8 0 12 50247.07 50398.13 333.25 o
2 2 12 19617.97 19503.08 93.72 o
4 2 12 0.11 17.66 8.81 o
6 2 12 20301.54 20182.21 104.86 o
8 2 12 10385.28 10041.91 71.19 o
10 2 12 955.94 941.63 24.69 o
0 4 12 116380.52 115002.48 698.70 o
2 4 12 7.23 18.38 9.43 o
4 4 12 38543.89 38433.85 179.95 o
6 4 12 106.87 139.75 11.86 o
8 4 12 82764.83 82699.16 384.12 o
10 4 12 2237.51 2053.95 33.57 o
2 6 12 18130.63 17891.64 93.71 o
4 6 12 341.57 344.52 14.22 o
6 6 12 4057.16 3895.02 40.30 o
8 6 12 10807.42 10559.28 76.47 o
10 6 12 3081.94 3248.67 46.05 o
0 8 12 47229.39 47202.98 327.56 o
2 8 12 9491.04 9041.07 65.07 o
4 8 12 96668.51 95244.78 427.45 o
6 8 12 1524.47 1494.17 28.02 o
8 8 12 49437.52 49358.10 259.67 o
10 8 12 5747.18 5360.62 57.77 o
2 10 12 1329.48 1409.16 27.65 o
4 10 12 2792.68 2788.89 40.62 o
6 10 12 3583.60 3422.86 43.20 o
8 10 12 1330.35 1362.35 37.20 o
10 10 12 256.49 199.16 19.99 o
0 12 12 64604.26 65516.34 467.25 o
2 12 12 97.45 83.09 17.05 o
4 12 12 52706.88 53383.25 279.63 o
6 12 12 277.03 307.40 22.52 o
1 1 13 14948.78 14984.01 80.62 o
3 1 13 20751.17 20391.06 99.29 o
5 1 13 67.68 90.40 11.14 o
7 1 13 15060.61 14881.67 91.14 o
9 1 13 2512.45 2631.10 37.60 o
11 1 13 6681.02 6784.94 67.31 o
1 3 13 440.08 492.27 15.44 o
3 3 13 5809.10 5835.44 44.29 o
5 3 13 14903.67 15017.84 88.53 o
7 3 13 5044.88 5045.92 47.70 o
9 3 13 756.32 783.62 24.09 o
11 3 13 32.55 37.11 16.28 o
1 5 13 7779.56 7627.41 56.83 o
3 5 13 14565.95 14090.62 81.49 o
5 5 13 20314.89 20191.69 112.23 o
7 5 13 371.44 356.27 18.48 o
9 5 13 4755.37 4650.58 51.68 o
11 5 13 7084.98 7045.68 70.93 o
1 7 13 3467.65 3418.30 36.20 o
3 7 13 8345.21 7964.23 62.62 o
5 7 13 261.60 296.47 16.95 o
7 7 13 2246.57 2134.49 33.64 o
9 7 13 526.24 586.35 24.88 o
11 7 13 3460.05 3386.07 49.84 o
1 9 13 7268.87 7370.99 62.57 o
3 9 13 1340.71 1249.67 27.88 o
5 9 13 52.05 58.07 19.52 o
7 9 13 3589.98 3408.36 45.19 o
9 9 13 11468.21 11698.94 96.86 o
1 11 13 3132.57 2955.90 41.95 o
3 11 13 86.05 84.01 15.07 o
5 11 13 5362.04 5293.97 58.87 o
7 11 13 1902.41 1936.18 40.57 o
1 13 13 4377.80 4246.95 58.72 o
3 13 13 4798.20 4793.81 59.65 o
2 0 14 9652.28 9471.21 87.50 o
6 0 14 5204.22 5384.21 73.94 o
10 0 14 9109.31 9116.61 113.88 o
0 2 14 50.55 54.06 13.27 o
2 2 14 139116.36 137257.48 549.21 o
4 2 14 6524.94 6594.51 50.81 o
6 2 14 79634.45 79916.40 366.41 o
8 2 14 108.69 113.75 16.44 o
10 2 14 60960.40 62121.54 369.89 o
12 2 14 1513.44 1515.99 38.54 o
2 4 14 6.59 27.34 10.92 o
4 4 14 431.19 463.69 16.97 o
6 4 14 2037.39 2072.79 33.93 o
8 4 14 5.05 12.34 14.58 o
10 4 14 12306.71 12327.79 99.08 o
0 6 14 140.43 110.45 18.65 o
2 6 14 95626.01 93537.09 422.16 o
4 6 14 2669.93 2642.38 37.48 o
6 6 14 60598.79 60289.68 300.19 o
8 6 14 281.73 331.43 19.80 o
10 6 14 54067.51 55532.15 299.56 o
2 8 14 1079.38 1083.64 25.96 o
4 8 14 375.56 361.53 19.29 o
6 8 14 456.17 528.10 23.89 o
8 8 14 107.92 126.97 17.78 o
0 10 14 9321.60 9318.99 109.69 o
2 10 14 40082.85 40143.84 224.46 o
4 10 14 8462.79 8512.10 76.67 o
6 10 14 35468.75 35909.06 214.64 o
2 12 14 1651.68 1672.52 37.54 o
1 1 15 1652.62 1607.55 27.34 o
3 1 15 257.34 248.75 14.46 o
5 1 15 37.18 44.64 14.32 o
7 1 15 6898.15 6998.03 65.47 o
9 1 15 739.32 729.93 29.03 o
11 1 15 1773.43 1729.52 41.87 o
1 3 15 360.29 369.23 16.40 o
3 3 15 20528.40 20343.22 113.89 o
5 3 15 45.86 77.50 14.37 o
7 3 15 55.44 60.21 16.95 o
9 3 15 125.27 130.72 19.68 o
1 5 15 6226.79 6071.35 50.84 o
3 5 15 10196.01 9924.49 73.35 o
5 5 15 205.15 202.30 17.21 o
7 5 15 3431.09 3340.06 44.94 o
9 5 15 4530.37 4586.47 55.79 o
1 7 15 8383.15 8339.05 68.79 o
3 7 15 466.32 553.41 20.92 o
5 7 15 30.58 31.26 16.33 o
7 7 15 1747.99 1768.29 39.31 o
1 9 15 171.86 168.97 18.10 o
3 9 15 587.36 608.34 24.59 o
5 9 15 2799.90 2788.85 45.44 o
1 11 15 576.52 691.56 29.26 o
0 0 16 29033.07 28574.15 299.93 o
4 0 16 26032.54 26134.11 227.62 o
8 0 16 36663.83 37110.72 325.23 o
2 2 16 18522.45 18570.51 113.33 o
4 2 16 2372.83 2437.95 39.12 o
6 2 16 9148.01 9259.30 80.47 o
8 2 16 590.76 643.09 28.88 o
0 4 16 10344.25 10717.43 105.51 o
2 4 16 1389.43 1554.32 31.10 o
4 4 16 59914.26 60520.80 330.81 o
6 4 16 1317.90 1430.86 35.48 o
8 4 16 28033.21 29078.37 182.21 o
2 6 16 4189.06 4178.28 49.26 o
4 6 16 82.37 72.48 16.72 o
6 6 16 6805.27 7117.59 74.83 o
0 8 16 37200.35 38196.01 313.57 o
2 8 16 379.02 329.17 21.19 o
4 8 16 42190.54 43796.50 250.91 o
1 1 17 1600.37 1694.41 32.19 o
3 1 17 3528.63 3456.20 49.16 o
5 1 17 2016.55 2086.70 38.48 o
7 1 17 1512.53 1578.70 40.62 o
1 3 17 32.66 59.65 14.97 o
3 3 17 2530.85 2524.05 42.16 o
5 3 17 31.22 20.28 20.04 o
7 3 17 431.20 495.98 27.42 o
1 5 17 731.87 795.87 28.22 o
3 5 17 40.76 13.76 16.72 o
5 5 17 1923.52 2050.83 45.57 o
1 7 17 1360.27 1454.80 34.38 o
3 7 17 629.07 645.57 27.54 o
2 0 18 53.27 49.55 26.51 o
0 2 18 6473.45 6489.64 113.13 o
2 2 18 46838.48 48180.05 284.42 o
4 2 18 123.11 153.30 22.00 o
2 4 18 1941.61 2048.16 41.38 o