data_9001508
_chemical_name 'Serendibite'
loop_
_publ_author_name
'Van Derveer D G'
'Swihart G H'
'Sen Gupta P K'
'Grew E S'
_journal_name_full "American Mineralogist"
_journal_volume 78
_journal_year 1993
_journal_page_first 195
_journal_page_last 203
_publ_section_title
;
 Cation occupancies in serendibite: A crystal structure study
 Sample from Johnsburg, New York
 Displacement parameters obtained from ICSD
;
_chemical_formula_sum 'B1.632 Si3.368 Al5 Mg2 (Ca1.598 Na.402) O20'
_cell_length_a 10.010
_cell_length_b 10.393
_cell_length_c 8.631
_cell_angle_alpha 106.37
_cell_angle_beta 96.10
_cell_angle_gamma 124.38
_cell_volume 669.890
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  '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
B1   0.46510   0.23570   0.33040   0.65200
Si1   0.46510   0.23570   0.33040   0.34800
Si2   0.98393   0.22828   0.34086   1.00000
Al3   0.78569   0.34446   0.23325   1.00000
B4   0.26880   0.32900   0.21970   0.98000
Si4   0.26880   0.32900   0.21970   0.02000
Si5   0.64333   0.94317   0.44362   1.00000
Si6   0.35610   0.55441   0.05422   1.00000
Al1   0.00000   0.00000   0.50000   1.00000
Al2   0.00000   0.50000   0.00000   1.00000
Al3   0.31197   0.85596   0.17246   1.00000
Al4   0.77752   0.82192   0.14551   1.00000
Mg5   0.09481   0.94392   0.06251   1.00000
Mg6   0.59383   0.93901   0.05623   1.00000
Al7   0.99816   0.74020   0.25928   1.00000
Ca8   0.21564   0.62437   0.39800   0.77500
Na8   0.21564   0.62437   0.39800   0.22500
Ca9   0.64732   0.60051   0.38263   0.82300
Na9   0.64732   0.60051   0.38263   0.17700
O1   0.35310   0.06470   0.17360   1.00000
O2   0.84480   0.04960   0.16820   1.00000
O3   0.54090   0.95300   0.28900   1.00000
O4   0.01430   0.93360   0.27750   1.00000
O5   0.24090   0.86840   0.38180   1.00000
O6   0.76230   0.88190   0.38300   1.00000
O7   0.48990   0.20960   0.49480   1.00000
O8   0.95730   0.78810   0.48250   1.00000
O9   0.90040   0.32590   0.38020   1.00000
O10   0.38390   0.32540   0.34500   1.00000
O11   0.65160   0.16330   0.04620   1.00000
O12   0.16100   0.17600   0.06180   1.00000
O13   0.53620   0.71010   0.04880   1.00000
O14   0.06860   0.72600   0.06460   1.00000
O15   0.24070   0.61560   0.11680   1.00000
O16   0.75330   0.61290   0.13500   1.00000
O17   0.38930   0.48670   0.19310   1.00000
O18   0.95200   0.52590   0.21580   1.00000
O19   0.16550   0.35860   0.31250   1.00000
O20   0.65580   0.36800   0.33330   1.00000