data_PCOD7000284
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
Si2B14O25      PCOD7000284 R =  0.0093
Probable space group: P 4/M B M
;
_chemical_formula_sum  "Si2 B14 O25"
_cell_formula_units_Z    2
_cell_length_a         14.4441
_cell_length_b         14.4441
_cell_length_c          6.9499
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1449.97
_symmetry_space_group_name_H-M   "P 1"
_symmetry_Int_Tables_number  1
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1      0.90015   0.40509   0.01553
Si2      0.10412   0.59726   0.01069
Si3      0.59597   0.89678   0.00426
Si4      0.39975   0.09588  -0.00127
B5      0.00137   0.49958  -0.28943
B6      0.50011  -0.00679  -0.30116
B7      0.49459  -0.00267   0.30427
B8      0.00432   0.50125   0.31523
B9      0.50120   0.25924  -0.00190
B10     -0.49978  -0.26608   0.00498
B11     -0.26039   0.50964   0.00668
B12      0.26981  -0.50559   0.00758
B13      0.01144   0.76452   0.00097
B14      0.99532   0.23920   0.00339
B15      0.75696   1.00406   0.00842
B16      0.23416  -0.00169  -0.00308
B17      0.24195  -0.60727   0.32171
B18     -0.23658   0.61617   0.31801
B19      0.60836   0.24387   0.31730
B20     -0.58273  -0.21081   0.32252
B21      0.25618  -0.11113  -0.31277
B22      0.74397   1.10582  -0.31053
B23     -0.07504   0.72364  -0.32165
B24      1.08614   0.27874  -0.31894
B25     -0.20445   0.58869  -0.31577
B26      0.22652  -0.59908  -0.30902
B27     -0.60604  -0.23769  -0.30995
B28      0.59945   0.22383  -0.31490
B29      0.74794   1.11997   0.31640
B30      0.28105  -0.08368   0.32034
B31      1.10824   0.26210   0.31159
B32     -0.10220   0.74713   0.31052
O1      0.91769   0.29447   0.01647
O2      0.94322   0.44573  -0.18077
O3      0.94612   0.44672   0.20790
O4      0.79122   0.42960   0.01850
O5      0.05823   0.55584  -0.18210
O6      0.05910   0.55867   0.20662
O7      0.08823   0.70796   0.00738
O8      0.21236   0.57088   0.01091
O9      0.70395   0.92484   0.02024
O10      0.55734   0.93645  -0.19648
O11      0.54436   0.93706   0.19202
O12      0.58040   0.78606   0.00232
O13      0.44475   0.04920  -0.18989
O14      0.43864   0.05547   0.19939
O15      0.42212   0.20545  -0.00590
O16      0.28964   0.07611  -0.00809
O17      0.00208   0.50144  -0.48726
O18      0.49670  -0.00547  -0.49842
O19      0.55008   0.26386   0.16726
O20      0.55257   0.26647  -0.16785
O21     -0.54930  -0.26430   0.17421
O22     -0.55164  -0.26814  -0.16118
O23     -0.26980   0.56240   0.17035
O24     -0.25697   0.55652  -0.16572
O25      0.27921  -0.55462   0.17657
O26      0.27143  -0.55704  -0.15898
O27     -0.03358   0.77037  -0.17326
O28     -0.04329   0.76926   0.16276
O29      1.03773   0.23613  -0.17397
O30      1.05232   0.23546   0.16199
O31      0.76870   1.04391  -0.16963
O32      0.76500   1.05934   0.16830
O33      0.22677  -0.05428  -0.16714
O34      0.23100  -0.04824   0.16976
O35      0.24890  -0.57402   0.50628
O36      0.17490  -0.67174   0.28098
O37     -0.17122   0.68314   0.28038
O38     -0.23913   0.58015   0.50107
O39      0.68613   0.19096   0.28768
O40      0.57175   0.24112   0.49971
O41     -0.64676  -0.14296   0.28491
O42     -0.56999  -0.24119   0.50737
O43      0.32210  -0.17760  -0.27540
O44      0.24218  -0.08345  -0.49955
O45      0.67078   1.16434  -0.27619
O46      0.76929   1.09265  -0.49916
O47     -0.13610   0.65305  -0.28357
O48     -0.07254   0.76079  -0.50360
O49      1.07842   0.24582  -0.50366
O50      1.15436   0.34135  -0.27520
#
#_symmetry_space_group_name_H-M  P 4/M B M
#_symmetry_Int_Tables_number  127
#
#   Starting Wyckoff positions:
#
#    1     4g     0.8856   0.3856   0.0000
#    2     4f     0.0000   0.5000  -0.3162
#    3     8i     0.5142   0.2380   0.0000
#    4    16l     0.2338  -0.5914   0.2948
#
#   Coordination Sequence :
#
# PCOD7000284 Si2B14O25       R =  0.0093  127
#   4
#   4  4  8 16
#    4   7  14  14  10  12  10  10  12   0
#    3   7  14  15  11  10  11  11  10   0
#    3   7  10  13  12  10  12  10  10   0
#    3   5   9  12  13  13  11  11  11   0
#
#_framework_density   22.07
#
