#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/57/2015708.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_2015708_Fobs
loop_
_publ_author_name
'Massa, Werner'
'Yakubovich, Olga V.'
'Dimitrova, Olga V.'
_publ_section_title
;
 Proton-stabilized three-dimensional anionic framework in
 H[Zn~6~O~2~(BO~3~)~3~]
;
_journal_coeditor_code           SQ3040
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i106
_journal_page_last               i108
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   8.1558
_cell_length_b                   8.1558
_cell_length_c                   26.1710
_exptl_crystal_F_000             1704.00
_reflns_d_resolution_high        0.6904
_[local]_cod_data_source_file    sq3040Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' ZNBO in R-3c Abs.cor. 2 Multiscan'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            770.92
_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'
'y, x, -z+1/2'
'-x, -x+y, -z+1/2'
'x-y, -y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'x, x-y, z-1/2'
'-x+y, y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
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 2 0 116200.48 120930.07 610.93 o
0 3 0 1556.42 1146.72 166.12 o
-2 4 0 198454.67 197291.80 1584.72 o
-1 5 0 1695.54 1844.75 91.79 o
-3 6 0 42578.54 39584.33 332.11 o
0 6 0 1962.84 1874.66 137.86 o
-2 7 0 9715.25 9251.34 121.58 o
-4 8 0 9104.40 9355.34 133.61 o
-1 8 0 18482.31 18408.48 183.27 o
-3 9 0 4736.39 4730.65 194.95 o
0 9 0 6566.90 6395.39 269.65 o
-5 10 0 20129.18 18478.69 224.13 o
-2 10 0 4147.45 4148.09 142.30 o
-4 11 0 251.60 158.62 124.96 o
-2 3 1 82535.05 83301.36 333.57 o
-1 4 1 38430.33 39381.64 155.91 o
-3 5 1 820.12 906.90 94.41 o
-5 6 1 68029.27 66805.40 336.77 o
-2 6 1 6710.78 6284.88 100.49 o
-4 7 1 53621.77 52080.49 374.26 o
-1 7 1 10735.95 10547.68 108.10 o
-6 8 1 10699.22 10685.34 211.66 o
-3 8 1 1857.49 1811.65 99.67 o
-8 9 1 15998.02 16024.60 289.55 o
-5 9 1 1516.81 1592.51 126.52 o
-2 9 1 4965.40 5010.36 110.53 o
-7 10 1 3752.44 3669.72 129.08 o
-4 10 1 30603.73 29523.51 653.22 o
-1 10 1 18746.73 18061.29 342.03 o
-9 11 1 6625.23 6025.97 314.95 o
-6 11 1 7969.33 7899.02 203.93 o
-3 11 1 1250.30 1148.29 143.59 o
0 1 2 33286.13 34859.89 537.02 o
-2 2 2 136240.25 145576.89 1169.70 o
-1 3 2 118343.32 114397.28 367.70 o
-3 4 2 7895.67 7285.82 95.10 o
0 4 2 1328.45 1623.56 145.48 o
-5 5 2 95923.40 91043.97 1082.96 o
-2 5 2 245401.73 240547.56 1075.35 o
-4 6 2 1478.81 1338.40 90.41 o
-1 6 2 4311.68 4431.62 98.85 o
-6 7 2 16113.03 16164.82 155.93 o
-3 7 2 65205.86 62282.94 336.64 o
0 7 2 24367.72 24076.02 366.15 o
-8 8 2 5812.87 5815.92 195.12 o
-5 8 2 7588.39 7591.91 123.46 o
-2 8 2 46.98 189.16 104.92 o
-7 9 2 5034.71 4974.87 136.22 o
-4 9 2 10822.11 10532.02 246.91 o
-1 9 2 19.74 50.08 109.05 o
-9 10 2 1565.86 1361.60 149.30 o
-6 10 2 3.67 75.21 154.49 o
-3 10 2 3608.84 3870.75 137.87 o
0 10 2 15.62 142.55 251.02 o
-8 11 2 1439.03 1323.00 147.18 o
-5 11 2 16.45 -25.97 136.49 o
-2 11 2 4036.00 3737.93 270.31 o
-1 2 3 5971.04 5826.45 143.78 o
-2 4 3 786.93 942.35 98.12 o
-4 5 3 19691.21 19371.01 124.58 o
-1 5 3 65856.45 62524.33 285.64 o
-3 6 3 2196.35 2175.56 101.95 o
-5 7 3 19136.95 18598.41 132.75 o
-2 7 3 313.59 504.54 99.20 o
-7 8 3 29702.36 30021.76 207.65 o
-4 8 3 28052.12 27285.76 139.25 o
-1 8 3 55034.46 53588.38 486.79 o
-6 9 3 6709.00 6523.36 151.50 o
-3 9 3 36094.67 35419.48 444.15 o
-8 10 3 3517.66 3558.30 131.27 o
-5 10 3 2154.59 2209.27 121.88 o
-2 10 3 1746.69 1705.25 105.40 o
-7 11 3 20.27 7.69 130.19 o
-4 11 3 1452.01 1490.91 131.76 o
-1 1 4 56743.52 58498.10 423.44 o
0 2 4 339811.31 358115.69 4351.92 o
-2 3 4 97513.15 96503.75 697.31 o
-4 4 4 50080.44 47752.05 248.64 o
-1 4 4 1920.80 2084.34 100.90 o
-3 5 4 6693.68 6702.79 113.17 o
0 5 4 160346.72 149964.83 1255.01 o
-5 6 4 7953.00 7885.64 103.37 o
-2 6 4 3484.34 3320.23 97.20 o
-7 7 4 8995.50 8898.67 175.95 o
-4 7 4 11512.22 11188.31 117.35 o
-1 7 4 18417.52 17778.21 141.77 o
-6 8 4 21852.32 21765.31 304.53 o
-3 8 4 12751.35 12270.82 115.86 o
0 8 4 18597.80 18172.69 378.79 o
-8 9 4 8249.69 8305.79 189.06 o
-5 9 4 854.19 1022.11 98.40 o
-2 9 4 7870.92 7854.17 135.73 o
-10 10 4 5053.09 4068.16 263.55 o
-7 10 4 11651.64 11176.48 224.54 o
-4 10 4 17483.69 16991.73 362.00 o
-1 10 4 3817.25 3737.11 115.43 o
-9 11 4 7354.70 6448.56 286.42 o
-6 11 4 49.53 56.25 128.32 o
-3 11 4 2298.32 2128.76 121.90 o
-1 3 5 7851.50 7554.41 127.62 o
-3 4 5 61074.83 59135.99 395.13 o
-2 5 5 40275.30 38468.52 561.87 o
-4 6 5 20862.46 20227.43 227.92 o
-1 6 5 1735.92 1582.81 94.96 o
-6 7 5 31263.50 30987.75 179.61 o
-3 7 5 2012.36 1974.76 99.67 o
-5 8 5 1415.19 1419.69 102.05 o
-2 8 5 21842.93 21943.65 127.68 o
-7 9 5 5025.67 5114.13 121.96 o
-4 9 5 22081.88 22276.76 223.82 o
-1 9 5 2657.93 2686.25 102.42 o
-9 10 5 167.04 201.34 147.90 o
-6 10 5 52821.44 52545.32 555.51 o
-3 10 5 5822.09 5895.01 111.16 o
-8 11 5 1729.59 1349.48 138.52 o
-5 11 5 2847.73 2768.66 110.53 o
0 0 6 101773.93 100431.81 1064.96 o
-1 2 6 1203.96 1389.66 132.05 o
-3 3 6 362372.63 370418.56 20146.62 o
0 3 6 64978.16 65917.83 459.55 o
-2 4 6 37057.67 36774.18 272.85 o
-4 5 6 77922.36 74756.67 480.64 o
-1 5 6 51416.75 50230.19 208.30 o
-6 6 6 4329.85 4417.36 126.87 o
-3 6 6 1410.82 1502.60 101.05 o
0 6 6 2626.57 2516.98 133.84 o
-5 7 6 61008.07 60692.98 493.78 o
-2 7 6 30794.51 30659.31 221.75 o
-7 8 6 12443.91 12386.94 121.51 o
-4 8 6 2489.48 2930.32 276.49 o
-1 8 6 2494.71 2702.32 96.63 o
-9 9 6 4184.19 4025.40 196.75 o
-6 9 6 5147.89 5278.65 107.78 o
-3 9 6 1940.22 2132.44 95.40 o
0 9 6 2147.19 2364.41 152.50 o
-8 10 6 512.40 470.68 135.30 o
-5 10 6 4856.31 5176.44 108.51 o
-2 10 6 4325.51 4272.56 111.04 o
-7 11 6 342.67 313.64 123.81 o
-4 11 6 396.49 543.41 139.74 o
-2 3 7 20910.15 21822.20 141.95 o
-1 4 7 13895.90 13612.68 123.00 o
-3 5 7 43792.71 42787.48 403.33 o
-5 6 7 15238.63 14415.77 136.40 o
-2 6 7 6067.61 6169.46 90.44 o
-4 7 7 20335.35 19721.53 238.85 o
-1 7 7 94439.05 95725.36 526.43 o
-6 8 7 265.95 388.86 107.45 o
-3 8 7 9743.67 9707.96 114.47 o
-8 9 7 29345.47 29304.25 525.22 o
-5 9 7 8427.35 8529.24 127.69 o
-2 9 7 243.86 355.83 96.04 o
-7 10 7 11327.49 11340.34 165.13 o
-4 10 7 1751.85 1843.41 107.14 o
-1 10 7 18654.63 18532.57 486.10 o
-6 11 7 1.88 4.03 101.38 o
-3 11 7 9109.81 8477.91 125.12 o
0 1 8 183740.95 188233.16 1424.62 o
-2 2 8 265924.06 276868.94 1899.46 o
-1 3 8 159.25 325.07 107.20 o
-3 4 8 13849.90 13897.70 130.26 o
0 4 8 42679.84 42375.33 273.51 o
-5 5 8 68.87 327.36 129.68 o
-2 5 8 181894.28 183310.77 1286.14 o
-4 6 8 4479.05 4432.58 121.96 o
-1 6 8 20164.93 20568.30 110.17 o
-6 7 8 1082.08 1140.34 90.59 o
-3 7 8 6019.95 6041.50 102.58 o
0 7 8 60508.01 62784.48 379.41 o
-8 8 8 9224.69 9882.15 271.79 o
-5 8 8 5857.69 5942.80 103.88 o
-2 8 8 4841.31 5104.70 98.98 o
-7 9 8 1448.56 1700.67 115.03 o
-4 9 8 4743.47 5205.11 207.10 o
-1 9 8 6168.67 6538.19 116.13 o
-9 10 8 3978.92 3768.92 154.52 o
-6 10 8 13461.12 13826.03 318.51 o
-3 10 8 533.94 579.08 101.25 o
0 10 8 2607.12 2242.15 316.59 o
-8 11 8 2344.05 2299.58 147.58 o
-5 11 8 709.12 614.85 102.65 o
-1 2 9 256.84 875.85 95.56 o
-2 4 9 33232.71 33637.75 323.85 o
-4 5 9 60033.27 57094.05 483.83 o
-1 5 9 58046.91 59051.97 191.19 o
-3 6 9 17025.38 16916.73 184.16 o
-5 7 9 7002.69 7053.66 101.05 o
-2 7 9 5685.32 5921.27 91.46 o
-7 8 9 2996.70 3394.52 96.02 o
-4 8 9 54327.86 55861.58 400.34 o
-1 8 9 228.08 351.14 88.12 o
-6 9 9 14006.23 14797.74 342.44 o
-3 9 9 11096.82 11542.74 145.44 o
-8 10 9 12463.20 12618.47 181.45 o
-5 10 9 321.67 416.59 102.92 o
-2 10 9 16458.54 16544.35 345.54 o
-7 11 9 5548.23 5270.33 128.41 o
-4 11 9 6378.70 6570.28 165.66 o
-1 1 10 152007.98 155868.16 1657.98 o
0 2 10 158564.31 156133.61 1290.90 o
-2 3 10 411.18 1019.17 212.29 o
-4 4 10 43159.49 41918.05 366.69 o
-1 4 10 10604.74 10312.49 194.22 o
-3 5 10 204141.70 202140.91 1159.45 o
0 5 10 292.86 560.57 121.38 o
-5 6 10 14055.07 13895.48 101.32 o
-2 6 10 2080.91 2298.98 82.32 o
-7 7 10 59832.71 59017.34 620.23 o
-4 7 10 10609.55 10935.05 180.07 o
-1 7 10 1654.51 1788.61 79.88 o
-6 8 10 3492.09 3704.12 96.58 o
-3 8 10 3209.23 3437.18 89.07 o
0 8 10 11139.44 12169.65 334.30 o
-8 9 10 4561.84 4575.67 126.49 o
-5 9 10 8129.98 8151.17 177.66 o
-2 9 10 924.75 980.50 88.75 o
-7 10 10 42.32 66.55 107.93 o
-4 10 10 11679.85 11996.02 113.74 o
-1 10 10 3738.58 3594.34 103.93 o
-6 11 10 1471.26 1478.35 105.62 o
-3 11 10 1357.95 1247.77 116.76 o
-1 3 11 24515.05 24970.22 252.24 o
-3 4 11 2187.25 2021.69 91.50 o
-2 5 11 25723.10 25449.16 300.39 o
-4 6 11 7138.00 7248.64 102.63 o
-1 6 11 18400.22 18672.11 104.69 o
-6 7 11 94356.25 93956.11 569.30 o
-3 7 11 13418.30 13486.12 134.59 o
-5 8 11 11319.16 11531.35 130.20 o
-2 8 11 579.43 636.12 82.18 o
-7 9 11 752.78 1066.98 143.93 o
-4 9 11 5351.27 5600.56 98.11 o
-1 9 11 25195.44 26229.65 216.37 o
-9 10 11 18506.29 18136.51 580.03 o
-6 10 11 36.53 109.13 106.60 o
-3 10 11 13211.10 12617.98 119.85 o
-5 11 11 322.49 434.93 105.15 o
0 0 12 290686.28 289599.03 2256.22 o
-1 2 12 5056.15 5178.31 105.91 o
-3 3 12 74776.41 74723.82 292.06 o
0 3 12 168052.92 165969.44 625.86 o
-2 4 12 42990.77 41258.50 419.10 o
-4 5 12 31219.55 30649.75 237.82 o
-1 5 12 53552.34 53306.05 273.39 o
-6 6 12 2597.46 2777.62 117.24 o
-3 6 12 4278.48 4544.69 97.82 o
0 6 12 1078.38 1126.58 122.93 o
-5 7 12 30034.30 29987.92 286.45 o
-2 7 12 36453.83 37763.31 303.09 o
-7 8 12 6069.66 6149.27 101.04 o
-4 8 12 2318.10 2443.40 91.03 o
-1 8 12 13031.37 13414.10 151.55 o
-9 9 12 4363.42 4314.89 186.22 o
-6 9 12 1848.68 2073.20 102.01 o
-3 9 12 4923.70 5224.03 91.77 o
0 9 12 3118.51 3311.95 149.66 o
-8 10 12 1617.36 1519.58 117.76 o
-5 10 12 11233.94 11175.04 119.21 o
-2 10 12 86.92 131.76 104.22 o
-7 11 12 265.80 272.02 111.22 o
-4 11 12 125.96 59.03 108.89 o
-2 3 13 22547.95 22727.76 157.97 o
-1 4 13 71765.20 68913.50 286.87 o
-3 5 13 20329.08 19891.90 234.24 o
-5 6 13 1208.19 1820.53 220.12 o
-2 6 13 5501.72 5617.77 85.59 o
-4 7 13 1253.05 1354.87 82.95 o
-1 7 13 9601.89 10184.42 98.35 o
-6 8 13 16285.70 16626.00 117.76 o
-3 8 13 712.60 962.56 81.61 o
-8 9 13 1959.94 1988.96 107.16 o
-5 9 13 16735.54 17166.76 338.30 o
-2 9 13 7157.15 7428.30 93.75 o
-7 10 13 4048.83 3952.80 119.53 o
-4 10 13 46648.34 45807.88 767.86 o
-1 10 13 48.86 227.40 92.04 o
-6 11 13 3239.89 3011.65 111.46 o
0 1 14 18050.38 17187.23 408.19 o
-2 2 14 305195.31 310691.41 3839.23 o
-1 3 14 50154.11 49082.91 399.25 o
-3 4 14 1081.99 1707.91 273.28 o
0 4 14 29561.07 28580.32 640.73 o
-5 5 14 58180.01 57543.51 439.93 o
-2 5 14 2900.23 2858.11 171.09 o
-4 6 14 1049.52 1176.03 79.77 o
-1 6 14 5664.98 5822.21 91.92 o
-6 7 14 14033.86 14469.95 135.81 o
-3 7 14 8864.86 9041.33 95.34 o
0 7 14 1071.36 1351.52 98.96 o
-8 8 14 5079.76 5102.02 243.50 o
-5 8 14 20643.33 21105.80 164.10 o
-2 8 14 10215.62 10705.08 91.71 o
-7 9 14 6436.69 6373.59 139.34 o
-4 9 14 1135.29 1161.70 92.11 o
-1 9 14 5731.34 5667.17 90.11 o
-6 10 14 9661.66 9721.89 194.20 o
-3 10 14 13667.56 13840.66 349.81 o
-1 2 15 22525.38 22309.10 263.52 o
-2 4 15 956.54 1094.14 89.62 o
-4 5 15 34357.77 34694.65 175.33 o
-1 5 15 18248.65 18308.27 159.73 o
-3 6 15 2093.33 2190.21 83.84 o
-5 7 15 16.95 -79.36 86.03 o
-2 7 15 10696.49 11062.49 128.84 o
-7 8 15 32312.00 33536.64 357.16 o
-4 8 15 8960.01 9203.14 99.24 o
-1 8 15 30775.55 31808.90 120.81 o
-6 9 15 18254.19 19134.83 312.56 o
-3 9 15 10475.54 10746.66 155.40 o
-8 10 15 967.25 838.99 125.04 o
-5 10 15 1364.10 1359.51 105.82 o
-2 10 15 2490.22 2159.16 99.00 o
-1 1 16 6386.19 6061.01 149.39 o
0 2 16 29555.82 29600.65 272.90 o
-2 3 16 79078.13 78709.89 248.43 o
-4 4 16 1663.40 1827.06 105.21 o
-1 4 16 4672.14 4700.56 113.04 o
-3 5 16 72858.18 73849.98 497.52 o
0 5 16 112525.08 111412.21 835.92 o
-5 6 16 2334.74 2288.74 85.39 o
-2 6 16 2650.85 3048.69 113.81 o
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-4 7 16 44967.73 45433.38 426.24 o
-1 7 16 10631.05 11128.31 90.94 o
-6 8 16 458.20 534.05 89.24 o
-3 8 16 1116.99 1344.88 79.15 o
0 8 16 406.99 403.59 110.29 o
-8 9 16 167.87 239.42 115.32 o
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-2 9 16 3640.25 3670.57 89.41 o
-7 10 16 1089.02 978.71 109.42 o
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-1 3 17 19141.91 18498.12 201.01 o
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-6 7 17 870.57 1045.35 92.10 o
-3 7 17 33056.97 33931.53 330.55 o
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-2 8 17 8033.60 7983.24 128.57 o
-7 9 17 1909.24 1883.37 99.87 o
-4 9 17 1837.66 1827.97 87.64 o
-1 9 17 10970.36 10490.00 122.45 o
-6 10 17 21979.73 21785.10 457.09 o
-3 10 17 2330.55 2226.05 114.25 o
0 0 18 594317.81 567916.56 4191.49 o
-1 2 18 31746.39 30200.28 383.42 o
-3 3 18 21764.25 21718.14 227.77 o
0 3 18 5979.47 5929.75 118.13 o
-2 4 18 81599.01 83871.93 366.26 o
-4 5 18 52.60 167.90 89.88 o
-1 5 18 3128.93 3153.88 89.68 o
-6 6 18 95.95 152.58 127.30 o
-3 6 18 15484.68 15548.90 118.13 o
0 6 18 1725.41 1781.98 126.84 o
-5 7 18 11138.47 11545.01 287.96 o
-2 7 18 5955.25 6342.94 98.93 o
-7 8 18 11276.27 11629.24 164.78 o
-4 8 18 4916.69 5308.56 85.61 o
-1 8 18 6656.05 6927.14 124.17 o
-9 9 18 6053.05 5991.97 198.76 o
-6 9 18 2701.80 2734.85 94.21 o
-3 9 18 3188.39 3241.44 87.24 o
0 9 18 1848.02 1610.08 119.87 o
-5 10 18 7970.23 7783.54 193.24 o
-2 3 19 26797.32 26208.83 227.57 o
-1 4 19 6590.81 6579.35 170.18 o
-3 5 19 96.51 171.86 82.01 o
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-2 6 19 3802.76 3925.74 95.51 o
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-1 7 19 5765.42 5931.43 108.56 o
-6 8 19 6580.09 6857.15 122.41 o
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