data_global
_chemical_name_mineral 'Hellandite-(Y)'
loop_
_publ_author_name
'Mellini M'
'Merlino S'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 89
_journal_page_last 99
_publ_section_title
;
 Hellandite: a new type of silicoborate chain
;
_database_code_amcsd 0000557
_chemical_formula_sum '(Al.55 Fe.45) Y2.622 Ca2.616 Si4 B4 H2 O24'
_cell_length_a 18.990
_cell_length_b 4.715
_cell_length_c 10.300
_cell_angle_alpha 90
_cell_angle_beta 111.4
_cell_angle_gamma 90
_cell_volume 858.657
_exptl_crystal_density_diffrn      3.556
_symmetry_space_group_name_H-M 'P 1 2/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,-z'
  '1/2+x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Al1   0.00000   0.00000   0.00000   0.55000 ?
Fe1   0.00000   0.00000   0.00000   0.45000 ?
Y2   0.04179   0.01879   0.35996   0.87000 ?
Ca3   0.24771   0.00225   0.65957   0.75200 ?
Y3   0.24771   0.00225   0.65957   0.10800 ?
Ca4   0.15428  -0.03944   0.92862   0.55600 ?
Y4   0.15428  -0.03944   0.92862   0.33300 ?
Si1   0.09990   0.48510   0.64680   1.00000 ?
Si2   0.11120   0.49660   0.16160   1.00000 ?
B1   0.17080   0.53440   0.45100   1.00000   0.00317
B2   0.25440   0.45270   0.13750   1.00000   0.00228
H   0.04700   0.04000   0.92000   1.00000   0.05066
O1   0.04080   0.24360   0.56350   1.00000 ?
O2   0.17570   0.31270   0.75560   1.00000 ?
O3   0.06980  -0.30030   0.73570   1.00000 ?
O4   0.13120  -0.32680   0.54040   1.00000 ?
O5   0.03730   0.19260   0.86690   1.00000 ?
O6   0.24570  -0.23450   0.86050   1.00000 ?
O7   0.16650   0.22190   0.44750   1.00000 ?
O8   0.13030   0.67440   0.30850   1.00000 ?
O9   0.18720   0.32810   0.16330   1.00000 ?
O10   0.08480   0.72860   0.03880   1.00000 ?
O11   0.05260   0.24840   0.15760   1.00000 ?
O12   0.25000   0.32670   0.00000   1.00000 ?
O13   0.25000   0.65150   0.50000   1.00000 ?
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Al1 0.01409 0.01995 0.01514 -0.00072 0.00773 0.00005
Fe1 0.01409 0.01995 0.01514 -0.00072 0.00773 0.00005
Y2 0.00998 0.01501 0.01114 -0.00135 0.00644 -0.00076
Ca3 0.01029 0.01394 0.01072 0.00034 0.00550 -0.00016
Y3 0.01029 0.01394 0.01072 0.00034 0.00550 -0.00016
Ca4 0.00776 0.01651 0.01533 0.00186 0.00764 0.00250
Y4 0.00776 0.01651 0.01533 0.00186 0.00764 0.00250
Si1 0.01251 0.01562 0.01565 0.00089 0.00842 0.00121
Si2 0.01283 0.01945 0.01780 0.00182 0.00799 0.00213
O1 0.01695 0.01724 0.01444 -0.00139 0.00515 -0.00575
O2 0.01188 0.01993 0.02111 0.00215 0.00258 -0.00096
O3 0.01489 0.02441 0.02148 0.00524 0.00799 -0.00360
O4 0.02043 0.01665 0.02106 0.00046 0.01486 0.00387
O5 0.01520 0.01941 0.01747 0.00224 0.00945 0.00147
O6 0.01758 0.01648 0.02013 0.00308 0.00859 -0.00094
O7 0.01457 0.01584 0.01519 0.00173 0.00558 0.00197
O8 0.03199 0.01881 0.01388 0.00443 0.00335 -0.00399
O9 0.01568 0.02130 0.04319 0.00722 0.02010 0.01184
O10 0.01362 0.02551 0.01696 0.00452 0.00309 0.00651
O11 0.01869 0.02305 0.01430 -0.00604 0.00722 0.00369
O12 0.03009 0.01961 0.01738 0.00000 0.00318 0.00000
O13 0.01299 0.01505 0.02558 0.00000 0.00318 0.00000