#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/40/2014097.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_2014097_Fobs
loop_
_publ_author_name
'Naumov, Dmitry Yu.'
'Naumova, Marina I.'
'Podberezskaya, Nina V.'
'Kuratieva, Natalia V.'
_publ_section_title
;
 Lithium and beryllium hypophosphites
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i73
_journal_page_last               i75
_journal_volume                  60
_journal_year                    2004
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 108.259
_cell_angle_gamma                90.000
_cell_length_a                   9.3557
_cell_length_b                   5.3107
_cell_length_c                   6.5432
_exptl_crystal_F_000             144.00
_reflns_d_resolution_high        0.8211
_[local]_cod_data_source_file    bc1045Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' LiH2PO2 in C2/m, CAD4, PSI-Abs, 21.09.2002, Naumov'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            68.64
_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'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+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
2 0 0 597.52 638.71 1.42 o
4 0 0 360.54 447.88 1.67 o
6 0 0 334.59 369.53 1.94 o
8 0 0 226.86 233.39 2.27 o
10 0 0 132.29 130.08 1.69 o
1 1 0 638.41 603.58 3.91 o
3 1 0 259.32 222.15 1.55 o
5 1 0 349.23 355.95 11.44 o
7 1 0 724.96 747.92 21.99 o
9 1 0 0.42 1.44 0.26 o
2 2 0 517.46 506.85 5.13 o
4 2 0 415.14 473.82 32.65 o
6 2 0 25.20 29.05 0.64 o
8 2 0 238.47 247.31 15.31 o
10 2 0 28.86 26.39 1.28 o
1 3 0 81.26 93.39 0.91 o
3 3 0 21.70 32.63 1.63 o
5 3 0 77.33 79.51 3.46 o
7 3 0 256.39 251.05 23.36 o
9 3 0 0.00 -0.02 0.39 o
0 4 0 861.30 862.51 4.53 o
2 4 0 5.15 5.42 0.35 o
4 4 0 20.40 25.22 0.66 o
6 4 0 27.29 33.35 2.29 o
8 4 0 10.95 12.67 1.39 o
1 5 0 9.02 8.83 0.47 o
3 5 0 0.53 0.35 0.30 o
5 5 0 2.86 1.87 0.37 o
0 6 0 35.31 34.35 1.29 o
2 6 0 4.92 3.39 0.40 o
4 6 0 16.75 21.61 1.50 o
-10 0 1 143.96 143.29 2.43 o
-8 0 1 465.55 467.23 3.66 o
-6 0 1 1011.91 1036.56 4.51 o
-4 0 1 79.96 60.72 0.85 o
-2 0 1 190.78 201.78 1.15 o
0 0 1 979.92 893.48 2.18 o
2 0 1 1856.54 1987.32 4.50 o
4 0 1 513.97 581.40 2.99 o
6 0 1 617.51 635.55 3.88 o
8 0 1 34.66 32.12 1.09 o
10 0 1 97.01 93.47 2.14 o
-11 1 1 3.28 3.59 0.47 o
-9 1 1 318.95 321.45 21.19 o
-7 1 1 617.69 658.60 31.32 o
-5 1 1 24.43 24.24 0.82 o
-3 1 1 73.55 69.72 6.52 o
-1 1 1 4711.11 5103.97 478.98 o
1 1 1 4489.82 4922.25 5.99 o
3 1 1 313.10 359.49 11.11 o
5 1 1 378.05 395.16 12.92 o
7 1 1 54.39 57.30 0.93 o
9 1 1 116.74 119.85 3.07 o
-10 2 1 31.89 30.16 1.22 o
-8 2 1 132.16 114.87 1.93 o
-6 2 1 882.59 868.95 4.44 o
-4 2 1 61.51 66.53 1.04 o
-2 2 1 311.23 294.38 1.89 o
0 2 1 217.09 191.51 1.63 o
2 2 1 191.71 193.66 1.69 o
4 2 1 586.96 605.48 3.60 o
6 2 1 174.86 164.64 2.24 o
8 2 1 75.25 70.96 1.74 o
-9 3 1 89.91 84.74 1.90 o
-7 3 1 175.16 174.06 2.34 o
-5 3 1 4.50 5.81 0.47 o
-3 3 1 3.35 5.81 0.39 o
-1 3 1 725.83 756.62 3.59 o
1 3 1 909.96 931.32 4.15 o
3 3 1 70.34 82.15 1.38 o
5 3 1 105.76 128.44 2.03 o
7 3 1 8.16 11.52 0.84 o
9 3 1 29.67 32.77 1.49 o
-8 4 1 74.53 57.96 1.65 o
-6 4 1 71.54 60.54 1.49 o
-4 4 1 0.13 0.41 0.32 o
-2 4 1 0.22 0.47 0.39 o
0 4 1 118.26 108.85 1.64 o
2 4 1 103.92 113.45 1.78 o
4 4 1 21.50 23.92 1.00 o
6 4 1 69.47 70.75 1.79 o
-7 5 1 20.99 21.07 1.11 o
-5 5 1 0.41 1.14 0.45 o
-3 5 1 0.00 0.00 0.39 o
-1 5 1 73.57 67.28 1.53 o
1 5 1 85.95 88.21 1.80 o
3 5 1 18.95 24.40 1.07 o
5 5 1 15.23 23.32 1.22 o
-4 6 1 12.96 15.77 0.95 o
-2 6 1 3.36 3.17 0.57 o
0 6 1 1.69 1.50 0.57 o
2 6 1 0.09 0.41 0.43 o
-10 0 2 41.74 42.36 1.36 o
-8 0 2 1340.03 1382.63 6.41 o
-6 0 2 213.55 215.40 2.07 o
-4 0 2 538.46 661.34 3.01 o
-2 0 2 2136.49 2189.96 4.95 o
0 0 2 2025.05 1689.80 4.29 o
2 0 2 393.76 362.30 2.17 o
4 0 2 656.70 679.11 3.64 o
6 0 2 50.88 51.81 1.22 o
8 0 2 74.95 75.84 1.74 o
-11 1 2 44.22 41.88 2.22 o
-9 1 2 2.86 2.80 0.35 o
-7 1 2 742.58 797.32 41.49 o
-5 1 2 473.64 512.97 40.17 o
-3 1 2 33.20 59.72 1.00 o
-1 1 2 796.45 837.75 24.55 o
1 1 2 8.47 20.78 0.37 o
3 1 2 1435.27 1388.78 38.49 o
5 1 2 480.38 455.40 8.47 o
7 1 2 38.84 39.42 0.85 o
9 1 2 21.20 20.37 0.81 o
-10 2 2 54.58 48.32 1.51 o
-8 2 2 466.78 447.91 3.73 o
-6 2 2 329.17 318.51 2.70 o
-4 2 2 494.52 530.50 3.01 o
-2 2 2 288.62 268.19 1.94 o
0 2 2 1648.18 1574.92 4.96 o
2 2 2 68.94 62.53 1.08 o
4 2 2 151.77 148.20 1.91 o
6 2 2 93.23 91.65 1.81 o
8 2 2 9.07 10.88 0.82 o
-9 3 2 0.88 0.52 0.47 o
-7 3 2 222.77 203.92 2.53 o
-5 3 2 96.07 96.65 1.55 o
-3 3 2 13.64 11.78 0.55 o
-1 3 2 247.25 224.01 2.07 o
1 3 2 9.53 6.75 0.47 o
3 3 2 414.96 443.51 3.42 o
5 3 2 146.83 143.61 2.29 o
7 3 2 11.70 9.84 0.82 o
-8 4 2 163.45 157.10 2.59 o
-6 4 2 14.52 13.89 0.82 o
-4 4 2 22.85 22.60 0.86 o
-2 4 2 121.69 118.01 1.76 o
0 4 2 95.50 95.59 1.64 o
2 4 2 45.03 40.80 1.18 o
4 4 2 89.00 112.68 2.10 o
6 4 2 0.67 1.84 0.59 o
-7 5 2 29.36 23.37 1.15 o
-5 5 2 5.27 4.01 0.57 o
-3 5 2 9.22 9.75 0.68 o
-1 5 2 25.16 23.99 0.98 o
1 5 2 3.65 2.79 0.52 o
3 5 2 40.53 46.10 1.49 o
5 5 2 13.51 12.63 0.98 o
-2 6 2 0.15 -0.23 0.45 o
0 6 2 18.27 16.81 1.00 o
2 6 2 0.10 0.66 0.52 o
-10 0 3 12.24 13.31 0.88 o
-8 0 3 26.24 31.04 1.04 o
-6 0 3 1053.26 1185.44 5.16 o
-4 0 3 84.24 88.38 1.22 o
-2 0 3 75.60 70.63 0.99 o
0 0 3 147.63 134.10 1.38 o
2 0 3 320.14 296.94 2.30 o
4 0 3 1225.09 1124.36 5.32 o
6 0 3 36.78 34.38 1.11 o
8 0 3 6.53 4.35 0.63 o
-11 1 3 29.48 29.69 1.39 o
-9 1 3 319.66 324.17 22.45 o
-7 1 3 922.55 988.94 69.91 o
-5 1 3 103.56 125.44 1.12 o
-3 1 3 1674.38 1609.56 127.06 o
-1 1 3 420.24 346.31 9.41 o
1 1 3 278.18 250.53 3.45 o
3 1 3 0.56 -0.12 0.21 o
5 1 3 128.67 117.15 1.34 o
7 1 3 40.53 38.42 0.91 o
-10 2 3 0.28 0.57 0.48 o
-8 2 3 64.57 63.16 1.45 o
-6 2 3 268.88 255.65 2.54 o
-4 2 3 227.08 212.15 2.05 o
-2 2 3 0.23 0.61 0.27 o
0 2 3 267.35 293.59 2.33 o
2 2 3 414.70 379.18 2.95 o
4 2 3 478.76 471.28 3.77 o
6 2 3 51.76 51.04 1.45 o
8 2 3 16.21 17.70 1.09 o
-9 3 3 88.46 82.54 1.90 o
-7 3 3 320.49 308.53 3.17 o
-5 3 3 25.81 28.60 0.93 o
-3 3 3 438.92 431.42 3.15 o
-1 3 3 112.88 107.31 1.57 o
1 3 3 80.64 79.17 1.44 o
3 3 3 0.63 1.14 0.45 o
5 3 3 42.06 46.64 1.47 o
7 3 3 6.49 7.80 0.82 o
-8 4 3 0.00 -0.04 0.48 o
-6 4 3 97.87 89.21 1.83 o
-4 4 3 0.51 0.57 0.39 o
-2 4 3 12.10 9.86 0.64 o
0 4 3 15.11 11.60 0.72 o
2 4 3 18.95 23.38 1.00 o
4 4 3 144.53 152.46 2.63 o
6 4 3 1.17 0.47 0.54 o
-5 5 3 5.20 4.72 0.61 o
-3 5 3 51.95 51.82 1.42 o
-1 5 3 4.09 3.65 0.54 o
1 5 3 4.38 2.83 0.55 o
3 5 3 0.29 1.57 0.59 o
-10 0 4 218.17 218.18 3.14 o
-8 0 4 333.90 346.75 3.40 o
-6 0 4 237.74 239.27 2.46 o
-4 0 4 1234.06 1228.17 5.15 o
-2 0 4 620.60 556.16 3.26 o
0 0 4 95.29 85.66 1.31 o
2 0 4 19.80 27.33 0.84 o
4 0 4 1.44 1.32 0.39 o
6 0 4 98.28 91.17 1.92 o
-11 1 4 6.51 6.51 0.55 o
-9 1 4 17.67 20.11 1.70 o
-7 1 4 68.09 74.62 3.16 o
-5 1 4 603.57 607.18 18.40 o
-3 1 4 155.24 157.31 2.66 o
-1 1 4 3.91 7.67 0.32 o
1 1 4 43.37 34.33 0.95 o
3 1 4 535.97 512.09 12.98 o
5 1 4 166.64 155.16 4.42 o
7 1 4 4.95 4.57 0.45 o
-10 2 4 53.78 47.03 1.52 o
-8 2 4 332.73 320.33 3.37 o
-6 2 4 47.76 44.05 1.17 o
-4 2 4 408.88 387.13 3.05 o
-2 2 4 639.57 613.66 3.73 o
0 2 4 3.08 4.92 0.43 o
2 2 4 46.06 52.19 1.25 o
4 2 4 16.37 17.97 0.89 o
6 2 4 26.86 32.77 1.29 o
-9 3 4 4.13 3.85 0.61 o
-7 3 4 10.65 10.58 0.73 o
-5 3 4 182.26 176.44 2.33 o
-3 3 4 44.73 43.26 1.13 o
-1 3 4 0.88 1.00 0.38 o
1 3 4 10.75 12.03 0.70 o
3 3 4 168.85 174.21 2.59 o
5 3 4 52.85 50.80 1.60 o
-8 4 4 31.57 29.35 1.25 o
-6 4 4 39.72 36.08 1.25 o
-4 4 4 150.97 150.41 2.32 o
-2 4 4 45.48 47.10 1.31 o
0 4 4 4.10 4.08 0.54 o
2 4 4 0.20 -0.32 0.47 o
4 4 4 0.09 0.21 0.50 o
-5 5 4 15.63 14.50 0.93 o
-3 5 4 2.56 1.86 0.52 o
-1 5 4 0.43 0.29 0.41 o
1 5 4 0.00 -0.45 0.47 o
-10 0 5 27.05 29.24 1.31 o
-8 0 5 38.93 49.23 1.45 o
-6 0 5 108.20 113.35 1.85 o
-4 0 5 705.77 660.88 4.19 o
-2 0 5 4.47 5.13 0.45 o
0 0 5 46.50 42.24 1.08 o
2 0 5 251.92 230.64 2.70 o
4 0 5 146.17 144.13 2.39 o
6 0 5 7.00 6.78 0.72 o
-9 1 5 136.17 140.56 10.45 o
-7 1 5 91.18 93.59 1.28 o
-5 1 5 36.70 36.46 0.75 o
-3 1 5 631.22 597.26 11.49 o
-1 1 5 132.35 122.03 3.26 o
1 1 5 5.97 8.23 0.41 o
3 1 5 5.03 5.81 0.41 o
5 1 5 20.78 21.64 0.75 o
-8 2 5 0.42 0.29 0.41 o
-6 2 5 130.94 130.80 2.09 o
-4 2 5 245.87 246.21 2.71 o
-2 2 5 24.28 28.26 0.97 o
0 2 5 78.23 68.35 1.47 o
2 2 5 78.41 82.63 1.78 o
4 2 5 114.82 126.89 2.43 o
-9 3 5 36.37 33.30 1.38 o
-7 3 5 30.08 28.81 1.16 o
-5 3 5 11.62 12.42 0.77 o
-3 3 5 209.32 211.45 2.69 o
-1 3 5 29.86 32.04 1.11 o
1 3 5 0.09 0.41 0.38 o
3 3 5 2.52 1.29 0.54 o
-6 4 5 2.36 2.29 0.50 o
-4 4 5 83.50 78.46 1.83 o
-2 4 5 0.00 -0.30 0.41 o
0 4 5 2.51 3.90 0.61 o
2 4 5 22.96 29.47 1.25 o
-3 5 5 25.71 28.05 1.29 o
-8 0 6 39.86 44.00 1.42 o
-6 0 6 4.97 5.89 0.57 o
-4 0 6 90.00 89.75 1.74 o
-2 0 6 303.56 296.30 3.10 o
0 0 6 16.58 15.81 0.81 o
2 0 6 5.07 7.78 0.66 o
4 0 6 3.75 3.29 0.59 o
-9 1 6 47.71 52.83 1.18 o
-7 1 6 31.62 33.46 0.88 o
-5 1 6 203.20 200.10 5.14 o
-3 1 6 139.72 138.83 8.90 o
-1 1 6 35.46 29.98 0.75 o
1 1 6 114.21 108.83 1.62 o
3 1 6 63.03 69.90 5.07 o
-8 2 6 3.61 4.08 0.61 o
-6 2 6 0.66 2.58 0.50 o
-4 2 6 96.75 95.62 1.90 o
-2 2 6 103.80 106.36 2.01 o
0 2 6 18.60 19.24 0.93 o
2 2 6 0.01 -0.07 0.47 o
-7 3 6 3.79 4.47 0.63 o
-5 3 6 59.61 59.20 1.63 o
-3 3 6 48.13 46.06 1.42 o
-1 3 6 12.55 14.10 0.89 o
1 3 6 34.23 37.86 1.40 o
-4 4 6 6.11 7.76 0.77 o
-2 4 6 29.88 33.47 1.33 o
-8 0 7 50.98 51.97 1.67 o
-6 0 7 82.13 81.16 1.90 o
-4 0 7 83.61 87.37 1.94 o
-2 0 7 3.41 4.36 0.61 o
0 0 7 89.58 94.50 2.06 o
2 0 7 40.48 43.91 1.54 o
-7 1 7 4.25 3.85 0.44 o
-5 1 7 15.75 17.57 1.24 o
-3 1 7 66.70 72.26 2.07 o
-1 1 7 57.04 59.36 1.18 o
1 1 7 3.25 3.79 0.43 o
-6 2 7 21.39 20.77 1.07 o
-4 2 7 71.36 68.44 1.83 o
-2 2 7 0.01 0.20 0.41 o
0 2 7 36.24 41.41 1.47 o
-3 3 7 16.92 19.81 1.07 o