data_global
_chemical_name_mineral 'Pseudosinhalite'
loop_
_publ_author_name
'Daniels P'
'Krosse S'
'Werding G'
'Schreyer W'
_journal_name_full 'Contributions to Mineralogy and Petrology'
_journal_volume 128 
_journal_year 1997
_journal_page_first 261
_journal_page_last 271
_publ_section_title
;
 "Pseudosinhalite", a new hydrous MgAl-borate: synthesis, phase characterization,
 crystal structure, and PT-stability
;
_database_code_amcsd 0012323
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Al3 Mg2 B2 O10 H'
_cell_length_a 7.455
_cell_length_b 4.330
_cell_length_c 9.825
_cell_angle_alpha 90
_cell_angle_beta 110.68
_cell_angle_gamma 90
_cell_volume 296.717
_exptl_crystal_density_diffrn      3.494
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-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
AlM1   0.00000   0.00000   0.00000   1.00000   0.00490
AlM2  -0.19293   0.01587  -0.32576   0.90000   0.00430
MgM2  -0.19293   0.01587  -0.32576   0.10000   0.00430
AlM3  -0.42210   0.00736  -0.11008   0.10000   0.00480
MgM3  -0.42210   0.00736  -0.11008   0.90000   0.00480
B   0.20610   0.08670  -0.36180   1.00000   0.00530
O1  -0.20570   0.25390  -0.13410   1.00000   0.00600
O2  -0.38260  -0.27620  -0.24905   1.00000   0.00600
O3  -0.03700  -0.26680  -0.16062   1.00000   0.00620
O4  -0.20300  -0.25010   0.00070   1.00000   0.00560
O5  -0.41570   0.25350  -0.45081   1.00000   0.00680
H   0.50000   0.41100   0.00000   0.50000   0.02800