data_global
_chemical_name_mineral 'Montgomeryite'
loop_
_publ_author_name
'Fanfani L'
'Nunzi A'
'Zanazzi P F'
'Zanzari A R'
_journal_name_full 'American Mineralogist'
_journal_volume 61
_journal_year 1976
_journal_page_first 12
_journal_page_last 14
_publ_section_title
;
 Additional data on the crystal structure of montgomeryite
;
_database_code_amcsd 486
_chemical_formula_sum 'Ca2 Al2 P3 Mg.5 O20 H14'
_cell_length_a 10.004
_cell_length_b 24.083
_cell_length_c 6.235
_cell_angle_alpha 90.0
_cell_angle_beta 91.6
_cell_angle_gamma 90.0
_cell_volume 1501.59
_exptl_crystal_density_diffrn  2.536
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Ca1   0.0  0.06132  0.25  1.0  0.01229
Ca2   0.0  0.33082  0.25  1.0  0.01229
Al1   0.25  0.25  0.0  1.0  0.00608
Al2   0.0  0.17177  -0.25  1.0  0.00583
P1   0.5  0.29949  -0.25  1.0  0.00583
P2   0.25851  0.11538  -0.04081  1.0  0.00747
Mg   0.0  0.52867  -0.25  0.5  0.01469
O1   0.6174  0.26034  0.70925  1.0  0.01115
O2   0.47001  0.33638  0.5558  1.0  0.01596
O3   0.30933  0.17528  0.01354  1.0  0.01064
O4   0.37484  0.0876  -0.15171  1.0  0.01241
O5   0.13698  0.11774  -0.20051  1.0  0.01229
O6   0.2185  0.08628  0.16276  1.0  0.01963
O-H   0.37062  0.27169  0.21882  1.0  0.0076
Wat1   0.16222  0.32941  0.53004  1.0  0.0252
Wat2   0.11263  0.0258  0.58142  1.0  0.01596
Wat3a   0.11621  0.46807  0.61315  0.5  0.0342
Wat3b   0.1213  0.51881  0.02617  0.5  0.03217