data_PCOD6102380
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB10O18       PCOD6102380 R =  0.0097
Probable space group: P M M A
;
_chemical_formula_sum  "Al B10 O18"
_cell_formula_units_Z    2
_cell_length_a         14.3176
_cell_length_b         11.2566
_cell_length_c         14.0182
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2259.29
_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
Al1      0.00681   0.49615  -0.00914
Al2      0.50292   0.51168  -0.00467
B3      0.16296   0.69190   0.02471
B4      0.34499  -0.68861   0.02436
B5     -0.15113   0.69347  -0.03890
B6      0.66218  -0.68241  -0.02975
B7     -0.15787  -0.69568  -0.02888
B8      0.66691   0.70133  -0.03932
B9      0.16635  -0.69555   0.02557
B10      0.34362   0.70245   0.02600
B11      0.05590   0.50145   0.21585
B12      0.44736   0.51211   0.21632
B13     -0.05494   0.49138  -0.22652
B14      0.56192   0.49770  -0.22391
B15      0.33857   0.69661   0.21408
B16      0.16456  -0.68213   0.21531
B17     -0.33139   0.68952  -0.22364
B18      0.83960  -0.70348  -0.21339
B19     -0.34056  -0.69718  -0.21664
B20      0.85075   0.69089  -0.22510
B21      0.34416  -0.68132   0.21217
B22      0.15800   0.69130   0.21339
O1      0.09916   0.61716  -0.01745
O2     -0.08812   0.61370  -0.00187
O3      0.01770   0.49871   0.12590
O4     -0.00276   0.49465  -0.14427
O5     -0.08548   0.37565   0.00042
O6      0.10123   0.37798  -0.01609
O7      0.60024   0.62669  -0.00180
O8      0.41290   0.63510  -0.01525
O9      0.49378   0.51917   0.13056
O10      0.51266   0.50300  -0.13970
O11      0.40565   0.39684  -0.00788
O12      0.59301   0.38841   0.00762
O13      0.25372   0.69068  -0.00787
O14      0.14795   0.72264   0.11873
O15      0.25541  -0.69341  -0.01150
O16      0.35348  -0.72037   0.11925
O17     -0.24236   0.69056  -0.00769
O18     -0.13675   0.72807  -0.13211
O19      0.75281  -0.67027   0.00135
O20      0.64863  -0.72396  -0.12123
O21     -0.15023  -0.74048  -0.12026
O22      0.65524   0.73443  -0.13316
O23      0.15663  -0.71804   0.12152
O24      0.35136   0.73237   0.12100
O25      0.09598   0.60640   0.24563
O26      0.09975   0.39914   0.24661
O27      0.40119   0.61262   0.24648
O28      0.40709   0.40470   0.23979
O29     -0.09458   0.59714  -0.25504
O30     -0.10311   0.38762  -0.24351
O31      0.61037   0.59837  -0.25057
O32      0.60122   0.39087  -0.25043
O33      0.24823   0.68973   0.24730
O34      0.25489  -0.67496   0.24860
O35     -0.24062   0.69057  -0.25662
O36      0.74995  -0.70239  -0.24945
#
#_symmetry_space_group_name_H-M  P M M A
#_symmetry_Int_Tables_number   51
#
#   Coordination Sequence :
#
# PCOD6102380 AlB10O18        R =  0.0097   51
#   4
#   2  8  4  8
#    6   8   6   8   8   6   8   8   6   0
#    3   7  10   8   7   8   7   7   8   0
#    3   7   7   4   7   8   6   8   8   0
#    3   4   6   8   7   7   8   7   7   0
#
#_framework_density    9.74
#
