data_global
_chemical_name_mineral 'Whiteite-(CaMnMn)'
loop_
_publ_author_name
'Grey I E'
'Mumme W G'
'Neville S M'
'Wilson N C'
'Birch W D'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 74 
_journal_year 2010
_journal_page_first 969
_journal_page_last 978
_publ_section_title
;
 Jahnsite - whiteite solid solutions and associated minerals in
 the phosphate pegmatite at Hagendorf-Sud, Bavaria, Germany
;
_database_code_amcsd 0018316
_chemical_compound_source 'Hagendorf-Sud, Bavaria, Germany'
_chemical_formula_sum 'Ca Mn Fe1.95 Mg.29 Al1.76 P4 O26 H18'
_cell_length_a 14.941
_cell_length_b 6.9495
_cell_length_c 10.054
_cell_angle_alpha 90
_cell_angle_beta 111.00
_cell_angle_gamma 90
_cell_volume 974.594
_exptl_crystal_density_diffrn      2.782
_symmetry_space_group_name_H-M 'P 1 2/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,y,-z'
  '1/2+x,-y,z'
  '-x,-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
CaX   0.25000   0.97700   0.00000   1.18000   0.03200
MnM1   0.25000   0.47980   0.00000   1.00000   0.01500
FeM2a   0.50000   0.00000   0.50000   0.86000   0.02030
MgM2a   0.50000   0.00000   0.50000   0.14000   0.02030
FeM2b   0.25000   0.49660   0.50000   0.85000   0.01880
MgM2b   0.25000   0.49660   0.50000   0.15000   0.01880
AlM3a   0.00000   0.00000   0.00000   0.80000   0.03200
FeM3a   0.00000   0.00000   0.00000   0.20000   0.03200
AlM3b   0.00000   0.50000   0.00000   0.96000   0.00700
FeM3b   0.00000   0.50000   0.00000   0.04000   0.00700
P1   0.17860   0.25740   0.18590   1.00000   0.01670
P2   0.07930   0.74890   0.80350   1.00000   0.01480
O1   0.27070   0.23190   0.15030   1.00000   0.02800
O2   0.20070   0.28700   0.34150   1.00000   0.03000
O3   0.11780   0.07710   0.13420   1.00000   0.03800
O4   0.13150   0.43530   0.09560   1.00000   0.02800
O5   0.18790   0.70870   0.85470   1.00000   0.03100
O6   0.04200   0.77660   0.64500   1.00000   0.02100
O7   0.06810   0.93070   0.88090   1.00000   0.02800
O8   0.02820   0.58670   0.84070   1.00000   0.02500
O-H9   0.02220   0.75060   0.07920   1.00000   0.01500
Wat10   0.22550   0.73140   0.34130   1.00000   0.04000
Wat11   0.45320   0.21570   0.33930   1.00000   0.03600
Wat12   0.63640   0.99840   0.47690   1.00000   0.03600
Wat13   0.39550   0.51210   0.50740   1.00000   0.03400