data_global
_chemical_name_mineral 'Waterhouseite'
loop_
_publ_author_name
'Pring A'
'Kolitsch U'
'Birch W D'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 43 
_journal_year 2005
_journal_page_first 1401
_journal_page_last 1410
_publ_section_title
;
 Description and unique crystal-structure of waterhouseite,
 a new hydroxy manganese phosphate species from the Iron Monarch deposit,
 Middleback Ranges, South Australia
;
_database_code_amcsd 0006050
_chemical_compound_source 'Iron Monarch mine, Iron Knob, South Australia'
_chemical_formula_sum 'Mn7 P2 O16 H8'
_cell_length_a 11.364
_cell_length_b 5.570
_cell_length_c 10.455
_cell_angle_alpha 90
_cell_angle_beta 96.61
_cell_angle_gamma 90
_cell_volume 657.376
_exptl_crystal_density_diffrn      3.590
_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_U_iso_or_equiv
Mn1   0.50000   0.00000   0.50000   0.01210
Mn2   0.04797   0.53843   0.36737   0.01470
Mn3   0.18562   0.51473   0.10420   0.01320
Mn4   0.42873   0.00344   0.14595   0.01330
P   0.27486   0.30480   0.35133   0.00990
O1   0.28190   0.18830   0.21860   0.01560
O2   0.17960   0.18450   0.42560   0.01770
O3   0.39860   0.31470   0.43440   0.01560
O4   0.23260   0.56960   0.32150   0.01570
O-H5   0.34320   0.69540   0.05690   0.01440
O-H6   0.54010   0.30390   0.18000   0.01520
O-H7   0.02060   0.39250   0.17180   0.01540
O-H8   0.10190   0.63460   0.56820   0.01580
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mn1 0.01260 0.01140 0.01240 0.00040 0.00180 -0.00020
Mn2 0.01430 0.01610 0.01430 -0.00140 0.00370 -0.00160
Mn3 0.01300 0.01370 0.01300 -0.00040 0.00190 0.00060
Mn4 0.01530 0.01150 0.01320 -0.00120 0.00180 -0.00020
P 0.00820 0.01140 0.01000 0.00100 0.00020 0.00000
O1 0.01200 0.01900 0.01500 0.00190 0.00050 -0.00080
O2 0.01900 0.01900 0.01500 0.00070 0.00130 0.00260
O3 0.01300 0.01700 0.01600 -0.00070 -0.00070 0.00290
O4 0.01800 0.01400 0.01500 0.00260 0.00220 -0.00160
O-H5 0.01400 0.01450 0.01400 -0.00130 0.00280 0.00050
O-H6 0.01700 0.01420 0.01400 -0.00300 -0.00160 -0.00300
O-H7 0.01500 0.01500 0.01700 -0.00250 0.00340 0.00270
O-H8 0.01400 0.01800 0.01600 0.00000 0.00140 -0.00230