#------------------------------------------------------------------------------
#$Date: 2016-04-03 04:36:14 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181179 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/58/2225831.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_2225831_Fobs
loop_
_publ_author_name
'Zhao, Dan'
'Li, Feifei'
'Cheng, Wendan'
'Zhang, Hao'
_publ_section_title
;
 Scheelite-type NaEr(MoO~4~)~2~
;
_journal_coeditor_code           FB2187
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i36
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.1816
_cell_length_b                   5.1816
_cell_length_c                   11.2880
_exptl_crystal_F_000             454.00
_reflns_d_resolution_high        0.7699
_cod_data_source_file            fb2187Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' a in I4(1)/a'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            267.20
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y+3/4, x+1/4, z+1/4'
'-x, -y+1/2, z'
'y+1/4, -x+1/4, z+1/4'
'x+1/2, y+1/2, z+1/2'
'-y+5/4, x+3/4, z+3/4'
'-x+1/2, -y+1, z+1/2'
'y+3/4, -x+3/4, z+3/4'
'-x, -y, -z'
'y-3/4, -x-1/4, -z-1/4'
'x, y-1/2, -z'
'-y-1/4, x-1/4, -z-1/4'
'-x+1/2, -y+1/2, -z+1/2'
'y-1/4, -x+1/4, -z+1/4'
'x+1/2, y, -z+1/2'
'-y+1/4, x+1/4, -z+1/4'
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 2 0 38650.49 35303.37 361.25 o
2 2 0 59259.31 71269.78 543.04 o
-2 4 0 30325.69 31023.95 699.12 o
0 4 0 33275.14 34277.63 1074.97 o
2 4 0 29070.95 29994.64 1281.18 o
4 4 0 14011.45 16061.03 584.60 o
-2 6 0 12406.09 12408.88 462.97 o
0 6 0 16157.76 14801.03 883.09 o
2 6 0 13496.06 15264.71 350.21 o
0 1 1 146.20 147.76 14.15 o
-1 2 1 687.57 798.23 37.33 o
1 2 1 2049.16 1981.76 76.14 o
-2 3 1 511.39 478.76 34.33 o
0 3 1 258.58 284.40 26.04 o
2 3 1 372.01 327.23 24.42 o
-3 4 1 34.31 28.87 10.91 o
-1 4 1 224.61 218.04 32.61 o
1 4 1 108.53 117.70 31.26 o
3 4 1 200.93 240.11 31.85 o
-4 5 1 23.15 11.20 20.47 o
-2 5 1 198.72 256.79 44.52 o
0 5 1 20.02 19.36 19.10 o
2 5 1 56.37 69.49 30.37 o
4 5 1 77.86 61.59 71.64 o
-1 6 1 75.69 69.05 47.16 o
1 6 1 23.19 17.89 15.50 o
1 1 2 71396.00 71065.89 1158.93 o
0 2 2 504.48 620.79 65.00 o
2 2 2 21.52 18.80 12.90 o
-1 3 2 46471.93 46232.20 409.23 o
1 3 2 35805.50 39731.09 303.82 o
3 3 2 28858.71 28510.03 252.94 o
-2 4 2 152.74 173.86 25.27 o
0 4 2 827.60 771.00 42.51 o
2 4 2 339.87 334.25 30.15 o
4 4 2 3.03 55.04 70.84 o
-3 5 2 17196.37 15589.90 259.94 o
-1 5 2 18180.26 21567.44 795.15 o
1 5 2 24495.16 25220.17 297.70 o
3 5 2 15299.98 16120.89 917.27 o
-2 6 2 61.96 77.39 57.93 o
0 6 2 215.72 274.29 35.59 o
2 6 2 105.91 113.15 56.59 o
0 1 3 238.85 219.99 14.68 o
-1 2 3 1820.81 1864.19 32.74 o
1 2 3 83.23 76.78 11.16 o
-2 3 3 46.64 50.69 17.74 o
0 3 3 412.51 419.64 27.39 o
2 3 3 517.25 493.11 26.00 o
-3 4 3 339.53 331.61 42.10 o
-1 4 3 173.10 207.75 24.65 o
1 4 3 69.80 67.08 26.11 o
3 4 3 65.57 55.55 43.47 o
-4 5 3 22.46 18.44 19.27 o
-2 5 3 29.71 34.04 24.53 o
0 5 3 37.97 161.01 77.00 o
2 5 3 104.42 114.67 40.75 o
4 5 3 26.37 25.64 23.06 o
-1 6 3 22.86 8.07 19.84 o
1 6 3 75.64 54.76 82.14 o
0 0 4 43382.20 32033.65 349.06 o
1 1 4 2852.04 3050.90 41.73 o
0 2 4 61198.57 66208.37 352.22 o
2 2 4 35931.82 36508.45 407.51 o
-1 3 4 96.88 94.42 8.95 o
1 3 4 119.92 113.24 17.06 o
3 3 4 40.18 44.53 26.49 o
-2 4 4 21982.03 22172.94 298.45 o
0 4 4 26940.66 26786.51 340.58 o
2 4 4 22694.61 21921.50 476.12 o
4 4 4 17846.44 17948.99 504.75 o
-3 5 4 117.76 95.30 37.89 o
-1 5 4 15.92 26.68 20.47 o
1 5 4 3.96 7.17 10.85 o
3 5 4 68.72 53.84 46.26 o
-2 6 4 13668.03 14091.71 431.42 o
0 6 4 14011.46 13755.78 307.31 o
2 6 4 12896.27 13136.76 368.17 o
0 1 5 672.39 695.54 24.12 o
-1 2 5 31.06 42.36 24.14 o
1 2 5 290.87 319.12 29.79 o
-2 3 5 756.57 697.13 49.61 o
0 3 5 315.09 300.24 29.19 o
2 3 5 273.73 258.86 36.52 o
-3 4 5 29.72 27.74 21.71 o
-1 4 5 116.36 89.88 26.75 o
1 4 5 185.27 174.68 26.56 o
3 4 5 99.91 95.01 79.53 o
-2 5 5 23.02 21.22 19.27 o
0 5 5 49.95 43.68 28.17 o
2 5 5 37.37 37.01 30.30 o
-1 6 5 36.68 15.44 26.15 o
1 6 5 17.09 10.08 20.74 o
1 1 6 41924.75 41555.63 417.35 o
0 2 6 1.62 2.02 4.33 o
2 2 6 2.66 6.02 9.17 o
-1 3 6 23119.57 22558.14 475.39 o
1 3 6 36282.47 39589.82 289.43 o
3 3 6 20192.20 18799.26 540.97 o
-2 4 6 0.08 11.77 15.29 o
0 4 6 3.27 8.80 12.49 o
2 4 6 5.13 6.62 11.97 o
4 4 6 0.78 1.91 15.85 o
-1 5 6 20934.36 20580.35 327.57 o
1 5 6 11714.62 10209.57 277.73 o
3 5 6 14778.29 13291.07 351.85 o
0 6 6 0.66 4.34 13.04 o
0 1 7 421.79 414.25 21.32 o
-1 2 7 37.81 39.86 7.49 o
1 2 7 81.33 96.07 25.07 o
-2 3 7 452.25 461.42 42.24 o
0 3 7 141.94 145.02 17.25 o
2 3 7 248.95 219.26 40.85 o
-3 4 7 37.84 32.82 18.12 o
-1 4 7 131.12 139.08 40.09 o
1 4 7 125.64 137.20 33.80 o
3 4 7 85.12 64.03 33.41 o
-2 5 7 17.03 11.35 20.51 o
0 5 7 27.34 53.61 47.57 o
2 5 7 32.06 39.17 45.10 o
0 0 8 26806.36 24850.58 397.00 o
1 1 8 935.15 870.26 40.34 o
0 2 8 31220.32 33196.52 298.67 o
2 2 8 22131.39 21205.16 509.64 o
-1 3 8 40.79 29.64 15.89 o
1 3 8 55.99 56.42 30.19 o
3 3 8 24.56 20.51 16.60 o
-2 4 8 15292.66 15413.54 373.16 o
0 4 8 17531.15 16454.66 349.62 o
2 4 8 15268.72 14238.09 247.10 o
-1 5 8 13.89 9.89 20.66 o
1 5 8 1.82 5.51 25.83 o
0 1 9 25.90 32.19 12.26 o
-1 2 9 501.43 495.65 44.90 o
1 2 9 22.26 15.94 18.68 o
-2 3 9 19.89 14.99 19.02 o
0 3 9 225.80 205.97 27.97 o
2 3 9 137.42 111.03 50.72 o
-3 4 9 146.60 183.45 33.71 o
-1 4 9 63.35 65.55 28.23 o
1 4 9 42.35 34.33 31.23 o
3 4 9 47.11 31.80 25.15 o
0 5 9 20.47 15.76 34.37 o
1 1 10 21357.36 21826.99 283.04 o
0 2 10 46.67 48.49 26.75 o
2 2 10 0.53 3.33 7.06 o
-1 3 10 17547.49 17949.33 408.11 o
1 3 10 14011.14 13528.68 581.95 o
3 3 10 13268.88 12789.36 267.13 o
-2 4 10 46.40 56.85 29.41 o
0 4 10 165.44 172.81 43.93 o
2 4 10 64.62 27.08 47.42 o
0 1 11 21.10 25.12 15.70 o
-1 2 11 21.17 22.80 17.76 o
1 2 11 272.73 285.06 32.24 o
-2 3 11 79.25 72.94 41.88 o
0 3 11 88.76 94.72 40.99 o
2 3 11 76.11 70.37 73.09 o
-1 4 11 45.34 25.91 35.65 o
1 4 11 20.82 8.80 14.94 o
0 0 12 21631.79 24322.00 505.87 o
1 1 12 6.55 7.84 8.74 o
0 2 12 10775.61 11303.43 393.40 o
2 2 12 13621.19 14212.06 294.57 o
-1 3 12 0.03 9.24 20.73 o
1 3 12 0.49 -0.26 19.49 o
0 1 13 26.71 49.04 25.42 o
-1 2 13 32.41 20.41 24.97 o
1 2 13 180.66 190.52 42.36 o
0 3 13 41.45 33.39 34.79 o
1 1 14 9870.80 10125.36 457.56 o
0 2 14 21.00 17.82 20.58 o