data_9000401
_chemical_name '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
;
_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
_cell_angle_beta 91.55
_cell_angle_gamma 90
_cell_volume 1508.785
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Ca1   0.00000   0.06115   0.25000   1.00000   0.01710
Ca2   0.00000   0.33098   0.25000   1.00000   0.01305
Mg   0.00000   0.47080   0.25000   0.50000   0.00950
Al1   0.25000   0.25000   0.00000   1.00000   0.01001
Al2   0.00000   0.17151  -0.25000   1.00000   0.01064
P1   0.50000   0.29944  -0.25000   1.00000   0.00937
P2   0.25820   0.11548  -0.04050   1.00000   0.01102
O1   0.61720   0.26040   0.70720   1.00000   0.01431
O2   0.46930   0.33660   0.55480   1.00000   0.01418
O3   0.30960   0.17490   0.01200   1.00000   0.01343
O4   0.37540   0.08720  -0.14970   1.00000   0.01570
O5   0.13620   0.11780  -0.20090   1.00000   0.01570
O6   0.21840   0.08560   0.16200   1.00000   0.02140
O-H   0.37120   0.27150   0.21890   1.00000   0.01115
Wat1   0.16140   0.33010   0.52920   1.00000   0.02672
Wat2   0.11220   0.02610   0.58260   1.00000   0.02014
Wat3   0.11880   0.47310   0.57230   1.00000   0.04673