data_global
_chemical_name_mineral 'Hurlbutite'
loop_
_publ_author_name
'Lindbloom J T'
'Gibbs G V'
'Ribbe P H'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 1267
_journal_page_last 1271
_publ_section_title
;
 The crystal structure of hurlbutite: A comparison with danburite and anorthite
;
_database_code_amcsd 431
_chemical_formula_sum 'Ca P2 Be2 O8'
_cell_length_a 8.299
_cell_length_b 8.782
_cell_length_c 7.798
_cell_angle_alpha 90.0
_cell_angle_beta 90.5
_cell_angle_gamma 90.0
_cell_volume 568.311
_exptl_crystal_density_diffrn  2.899
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.3869  0.0863  0.244  0.00836
P1m   0.2626  0.4177  0.4395  0.00912
Be1o   0.268  0.4215  0.0707  0.0095
P2o   0.0588  0.1976  -0.0606  0.00481
Be2m   0.0566  0.1949  0.5698  0.00912
O1o   0.1928  0.0888  0.0028  0.0076
O1m   0.1881  0.0737  0.4965  0.00747
O2o   0.1224  0.3634  -0.055  0.00684
O2m   0.1296  0.3689  0.563  0.00988
O3o   0.4215  0.3096  0.0675  0.00912
O3m   0.4034  0.3065  0.4371  0.00773
O4   0.4999  0.6553  0.2388  0.00925
O5   0.1854  0.4199  0.2591  0.00975