data_global
_chemical_name_mineral 'Montgomeryite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 843
_journal_page_last 850
_publ_section_title
;
 Montgomeryite, Ca4Mg(H2O)12[Al4(OH)4(PO4)6]:. Its crystal structure and
 relation to Vauxite, Fe2(H2O)4[Al4(OH)4(H2O)4(PO4)4].4H2O
;
_database_code_amcsd 410
_chemical_formula_sum 'Ca2 Mg.5 Al2 P3 O20 H14'
_cell_length_a 10.023
_cell_length_b 24.121
_cell_length_c 6.243
_cell_angle_alpha 90.0
_cell_angle_beta 91.55
_cell_angle_gamma 90.0
_cell_volume 1508.785
_exptl_crystal_density_diffrn  2.524
_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  0.06115  0.25  1.0  0.0171
Ca2   0.0  0.33098  0.25  1.0  0.01305
Mg   0.0  0.4708  0.25  0.5  0.0095
Al1   0.25  0.25  0.0  1.0  0.01001
Al2   0.0  0.17151  -0.25  1.0  0.01064
P1   0.5  0.29944  -0.25  1.0  0.00937
P2   0.2582  0.11548  -0.0405  1.0  0.01102
O1   0.6172  0.2604  0.7072  1.0  0.01431
O2   0.4693  0.3366  0.5548  1.0  0.01418
O3   0.3096  0.1749  0.012  1.0  0.01343
O4   0.3754  0.0872  -0.1497  1.0  0.0157
O5   0.1362  0.1178  -0.2009  1.0  0.0157
O6   0.2184  0.0856  0.162  1.0  0.0214
O-H   0.3712  0.2715  0.2189  1.0  0.01115
Wat1   0.1614  0.3301  0.5292  1.0  0.02672
Wat2   0.1122  0.0261  0.5826  1.0  0.02014
Wat3   0.1188  0.4731  0.5723  1.0  0.04673