#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/48/2104872.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2104872_Fobs
loop_
_publ_author_name
'Weil, Matthias'
'St\"oger, Berthold'
_publ_section_title
;
 Crystal chemistry of transition metal diarsenates <i>M</i>~2~As~2~O~7~
 (<i>M</i> = Mn, Co, Ni, Zn): variants of the thortveitite structure
;
_journal_coeditor_code           SN5100
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              603
_journal_page_last               614
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                58.472(1)
_cell_angle_beta                 149.011(1)
_cell_angle_gamma                126.976(1)
_cell_length_a                   32.9920(16)
_cell_length_b                   5.3332(4)
_cell_length_c                   8.9775(6)
_exptl_crystal_F_000             880
_reflns_d_resolution_high        0.6997
_[local]_cod_data_source_file    sn5100alpha-Co2As2O7sup5.hkl
_[local]_cod_data_source_block   alpha-Co2As2O7
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            167.01
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
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3 0 0 19.40 16.33 3.41 o
4 0 0 142.09 160.27 8.44 o
5 0 0 10091.78 10375.16 43.16 o
6 0 0 108.58 129.58 9.57 o
7 0 0 41.34 46.37 8.24 o
8 0 0 283.51 339.77 14.91 o
9 0 0 21.52 16.50 7.77 <
10 0 0 12497.73 12529.23 64.37 o
11 0 0 0.24 8.01 7.62 <
12 0 0 31.89 26.57 10.47 <
13 0 0 5.40 12.85 10.08 <
14 0 0 335.52 312.57 22.53 o
15 0 0 25573.45 25054.26 133.98 o
17 0 0 127.91 124.59 23.30 o
18 0 0 197.10 186.15 28.83 o
19 0 0 786.39 769.69 50.61 o
20 0 0 12628.99 12694.85 185.11 o
21 0 0 224.92 392.95 43.01 o
22 0 0 9.76 35.54 22.53 <
-23 1 0 4.53 9.12 21.18 <
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-19 1 0 8.08 12.38 15.55 <
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-15 1 0 2832.84 2776.71 54.74 o
-14 1 0 20.62 16.50 11.42 <
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-12 1 0 617.26 596.32 25.25 o
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-9 1 0 324.83 311.23 17.66 o
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1 1 0 1294.71 1327.86 21.26 o
2 1 0 1190.73 1195.21 22.49 o
3 1 0 0.82 -0.24 6.19 <
4 1 0 1638.65 1765.88 26.87 o
5 1 0 9653.91 10265.98 48.34 o
6 1 0 980.88 993.86 20.38 o
7 1 0 11.21 23.40 7.85 <
8 1 0 119.76 130.67 12.43 o
9 1 0 0.57 2.38 9.36 <
10 1 0 945.46 1009.79 29.30 o
11 1 0 0.99 10.55 12.46 <
12 1 0 163.72 134.48 20.43 o
13 1 0 0.72 -2.46 14.12 <
14 1 0 1318.50 1090.64 50.68 o
15 1 0 75.63 58.20 18.79 o
16 1 0 701.05 584.85 41.56 o
17 1 0 27.68 28.95 18.09 <
18 1 0 41.07 54.65 22.53 <
19 1 0 947.77 878.02 56.87 o
20 1 0 2545.13 2419.89 92.14 o
21 1 0 1008.98 972.38 63.71 o
-24 2 0 273.03 277.22 33.49 o
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-22 2 0 2272.05 2374.23 72.11 o
-21 2 0 47.22 69.00 21.89 o
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-19 2 0 38.72 38.47 17.37 <
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-15 2 0 4784.08 4894.86 74.70 o
-14 2 0 141.49 129.44 17.98 o
-13 2 0 850.23 811.45 33.52 o
-12 2 0 5.22 -2.14 11.11 <
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-9 2 0 1593.63 1692.73 30.02 o
-8 2 0 785.14 888.55 23.62 o
-7 2 0 3003.43 3253.35 40.46 o
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-4 2 0 1366.02 1500.96 27.73 o
-3 2 0 1887.30 2026.03 29.09 o
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0 2 0 14687.94 15226.73 63.96 o
1 2 0 695.39 722.26 17.05 o
2 2 0 2538.61 2584.51 41.74 o
3 2 0 2.58 -0.08 8.33 <
4 2 0 1128.09 1181.98 33.09 o
5 2 0 21139.99 18732.59 92.53 o
6 2 0 109.46 119.47 16.32 o
7 2 0 1017.28 1027.91 37.73 o
8 2 0 250.68 244.35 23.65 o
9 2 0 25.89 21.50 16.18 <
10 2 0 8785.99 8354.88 111.47 o
11 2 0 389.14 397.95 36.04 o
12 2 0 87.58 97.20 25.77 o
13 2 0 223.58 215.31 29.46 o
14 2 0 417.64 392.87 36.21 o
15 2 0 9662.77 9354.84 153.37 o
16 2 0 582.52 589.28 45.73 o
17 2 0 79.38 71.05 23.87 <
18 2 0 0.59 16.58 21.11 <
19 2 0 473.27 480.58 48.23 o
-24 3 0 172.97 201.59 49.61 o
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-19 3 0 14.49 16.50 18.72 <
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-17 3 0 31.95 60.36 18.80 o
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-15 3 0 23519.87 24479.68 163.45 o
-14 3 0 3.04 2.54 16.11 <
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-12 3 0 17.64 13.33 17.93 <
-11 3 0 36.88 30.22 13.48 <
-10 3 0 722.42 726.42 28.06 o
-9 3 0 369.99 401.47 23.37 o
-8 3 0 28.79 37.20 13.56 <
-7 3 0 681.56 702.53 27.81 o
-6 3 0 226.52 246.33 19.14 o
-5 3 0 21079.84 21670.22 89.25 o
-4 3 0 438.06 445.73 22.31 o
-3 3 0 3571.92 3742.38 48.73 o
-2 3 0 254.77 251.21 17.94 o
-1 3 0 1813.87 1963.50 36.46 o
0 3 0 24479.73 23868.65 99.12 o
1 3 0 842.38 834.52 32.16 o
2 3 0 7335.55 7600.66 132.17 o
3 3 0 7.17 14.76 13.09 <
4 3 0 2511.58 2377.72 53.73 o
5 3 0 2519.11 2383.17 56.66 o
6 3 0 429.86 411.35 30.01 o
7 3 0 2033.54 1992.80 57.89 o
8 3 0 190.31 210.67 26.45 o
9 3 0 249.61 239.55 29.13 o
10 3 0 9574.40 9318.08 133.71 o
11 3 0 169.90 202.75 32.33 o
12 3 0 241.31 294.35 39.67 o
13 3 0 203.13 188.62 32.72 o
14 3 0 1122.27 1067.78 62.69 o
15 3 0 7717.69 7246.77 151.87 o
16 3 0 608.21 571.80 50.00 o
-23 4 0 773.73 819.14 80.47 o
-22 4 0 485.54 426.12 61.98 o
-21 4 0 37.02 55.84 33.08 <
-20 4 0 5669.93 5872.17 168.61 o
-19 4 0 831.21 972.27 74.09 o
-18 4 0 5943.14 6212.91 161.97 o
-17 4 0 1233.60 1263.77 57.40 o
-16 4 0 582.53 534.30 42.24 o
-15 4 0 582.03 552.14 41.83 o
-14 4 0 287.39 274.83 31.89 o
-13 4 0 3545.04 3544.93 81.24 o
-12 4 0 882.19 856.84 43.89 o
-11 4 0 298.33 277.90 21.83 o
-10 4 0 5251.06 5251.94 69.09 o
-9 4 0 1328.90 1414.55 40.37 o
-8 4 0 1017.41 1030.33 35.63 o
-7 4 0 882.18 837.70 33.24 o
-6 4 0 972.63 937.36 33.99 o
-5 4 0 991.62 973.25 34.14 o
-4 4 0 3001.71 3018.18 64.13 o
-3 4 0 5044.55 4798.73 78.12 o
-2 4 0 1563.83 1473.90 46.11 o
-1 4 0 3290.82 3263.01 66.01 o
0 4 0 330.21 272.02 24.83 o
1 4 0 1287.82 1184.29 43.71 o
2 4 0 3859.08 3603.23 72.98 o
3 4 0 16.22 30.86 16.42 <
4 4 0 959.01 871.25 41.77 o
5 4 0 110.78 98.53 21.96 o
6 4 0 23.54 31.26 27.53 <
7 4 0 91.62 99.50 23.94 o
8 4 0 476.40 425.55 38.97 o
9 4 0 326.97 319.49 36.40 o
10 4 0 2331.57 2370.78 83.69 o
11 4 0 1520.35 1469.11 72.00 o
12 4 0 670.65 559.36 50.37 o
-20 5 0 742.58 807.85 78.91 o
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-18 5 0 3473.75 3723.68 142.34 o
-17 5 0 562.09 597.08 66.04 o
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-15 5 0 8037.99 8545.98 196.44 o
-14 5 0 329.84 300.70 48.82 o
-13 5 0 1663.48 1686.01 91.17 o
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-11 5 0 149.97 157.54 20.68 o
-10 5 0 10780.38 11330.23 112.57 o
-9 5 0 2953.19 3145.60 77.69 o
-8 5 0 75.58 89.92 24.03 o
-7 5 0 2425.12 2377.16 70.67 o
-6 5 0 1218.68 1167.79 51.50 o
-5 5 0 35.33 37.36 19.27 <
-4 5 0 900.44 877.90 45.35 o
-3 5 0 1203.58 1184.89 50.65 o
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-1 5 0 826.87 794.82 43.10 o
0 5 0 15370.28 14301.82 153.96 o
1 5 0 3.68 6.03 16.26 <
2 5 0 3060.86 3002.04 79.18 o
3 5 0 459.20 445.73 37.71 o
4 5 0 178.48 186.91 28.60 o
5 5 0 10593.18 10065.61 148.92 o
6 5 0 101.12 105.13 26.48 o
7 5 0 1104.75 1081.57 59.81 o
8 5 0 292.14 234.12 38.95 o
-10 6 0 713.27 712.61 60.29 o
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-8 6 0 63.17 31.80 29.18 <
-7 6 0 11.85 9.60 25.39 <
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-5 6 0 5909.77 5607.96 118.17 o
-4 6 0 542.20 495.30 42.83 o
-3 6 0 4539.16 4332.36 105.27 o
-2 6 0 4.55 16.34 21.66 <
-1 6 0 1573.80 1512.81 67.44 o
0 6 0 3913.10 3736.45 100.61 o
1 -6 1 241.55 242.76 47.52 o
2 -6 1 7.88 32.93 29.36 <
3 -6 1 4065.06 3933.88 139.64 o
4 -6 1 252.77 298.17 47.28 o
5 -6 1 89.25 103.87 34.02 o
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0 -5 1 20.02 16.42 18.80 <
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4 -5 1 1495.10 1466.00 74.53 o
5 -5 1 8183.19 8131.42 160.12 o
6 -5 1 1395.55 1356.02 70.59 o
7 -5 1 205.29 209.12 33.74 o
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10 -5 1 6368.77 6726.41 169.37 o
11 -5 1 123.79 171.85 39.95 o
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15 -5 1 36.91 41.01 34.74 <
16 -5 1 1.62 -1.27 27.69 <
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-5 -4 1 1410.12 1265.46 46.53 o
-4 -4 1 4.74 11.27 14.44 <
-3 -4 1 431.49 380.10 28.29 o
-2 -4 1 3342.32 3296.31 67.94 o
-1 -4 1 112.82 87.97 18.94 o
0 -4 1 22563.01 22219.83 148.63 o
1 -4 1 206.38 209.04 23.91 o
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4 -4 1 15.54 8.89 13.49 <
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6 -4 1 694.54 739.05 31.92 o
7 -4 1 1373.61 1408.00 39.07 o
8 -4 1 1323.05 1366.12 39.02 o
9 -4 1 1143.22 1178.66 65.40 o
10 -4 1 2411.82 2454.85 91.82 o
11 -4 1 392.55 400.90 47.52 o
12 -4 1 1046.08 1114.76 69.67 o
13 -4 1 27.49 43.79 25.62 <
14 -4 1 1536.47 1557.87 84.23 o
15 -4 1 9370.56 9626.73 195.39 o
16 -4 1 0.32 18.73 28.88 <
17 -4 1 14.53 14.04 28.88 <
18 -4 1 2467.85 2543.89 117.51 o
19 -4 1 75.68 41.47 33.78 <
-18 -3 1 11.53 -6.58 20.87 <
-17 -3 1 1201.22 1116.31 65.97 o
-16 -3 1 940.93 835.40 55.30 o
-15 -3 1 6970.23 7063.40 132.84 o
-14 -3 1 2967.13 2893.78 83.16 o
-13 -3 1 643.29 623.70 42.30 o
-12 -3 1 2224.01 2194.80 66.61 o
-11 -3 1 3120.82 3131.38 73.93 o
-10 -3 1 3129.18 2963.25 67.90 o
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-4 -3 1 0.40 -4.21 10.79 <
-3 -3 1 17.12 10.71 10.47 <
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-1 -3 1 22.22 35.38 10.79 o
0 -3 1 1325.28 1379.73 30.79 o
1 -3 1 2213.59 2349.81 39.26 o
2 -3 1 871.37 906.33 27.76 o
3 -3 1 7888.25 8585.13 73.66 o
4 -3 1 2007.75 2268.10 42.50 o
5 -3 1 249.62 235.39 19.85 o
6 -3 1 2158.87 2225.04 42.86 o
7 -3 1 2880.79 2959.91 49.03 o
8 -3 1 4493.13 4373.40 57.90 o
9 -3 1 3588.45 3703.81 72.31 o
10 -3 1 990.83 993.97 42.01 o
11 -3 1 36.10 40.05 16.58 <
12 -3 1 104.57 103.52 20.53 o
13 -3 1 16.38 26.89 14.99 <
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15 -3 1 4447.00 4308.71 123.57 o
16 -3 1 186.77 175.32 38.74 o
17 -3 1 1045.78 1133.35 75.07 o
18 -3 1 3844.55 3992.15 132.94 o
19 -3 1 284.71 390.17 52.49 o
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0 -2 1 12449.42 13539.84 59.45 o
1 -2 1 2210.58 2358.84 32.02 o
2 -2 1 263.62 267.80 16.18 o
3 -2 1 7241.03 8153.07 60.89 o
4 -2 1 796.37 826.04 24.10 o
5 -2 1 21152.55 22820.11 83.87 o
6 -2 1 305.95 326.54 17.06 o
7 -2 1 1572.59 1672.77 29.46 o
8 -2 1 1300.51 1302.78 26.35 o
9 -2 1 351.18 334.93 23.78 o
10 -2 1 16023.33 16185.53 110.22 o
11 -2 1 0.89 -4.05 10.95 <
12 -2 1 104.91 121.50 16.96 o
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14 -2 1 28.18 44.42 14.67 o
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19 -2 1 4.03 9.84 27.37 <
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9 -1 1 572.43 546.13 24.01 o
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16 -1 1 63.92 67.56 17.29 o
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18 -1 1 888.25 885.80 43.02 o
19 -1 1 144.35 156.85 24.57 o
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