data_global
_chemical_name_mineral 'Triploidite'
loop_
_publ_author_name
'Waldrop L'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 131 
_journal_year 1970
_journal_page_first 1
_journal_page_last 20
_publ_section_title
;
 The crystal structure of triploidite and its relation to the structures
 of other minerals of the triplite-triploidite group
 Refinement with reflections for which I > 1.2Imin, this is the poorer refinement
;
_database_code_amcsd 0010706
_chemical_compound_source 'Branchville, Connecticut, USA'
_chemical_formula_sum '(Mn1.5 Fe.5) P O5 H'
_cell_length_a 12.366
_cell_length_b 13.276
_cell_length_c 9.943
_cell_angle_alpha 90
_cell_angle_beta 108.23
_cell_angle_gamma 90
_cell_volume 1550.422
_exptl_crystal_density_diffrn      3.810
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+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
Mn1   0.18740   0.47840   0.18810   0.75000   0.00557
Fe1   0.18740   0.47840   0.18810   0.25000   0.00557
Mn2   0.19700   0.99680   0.21000   0.75000   0.01039
Fe2   0.19700   0.99680   0.21000   0.25000   0.01039
Mn3   0.30470   0.75170   0.29580   0.75000   0.00950
Fe3   0.30470   0.75170   0.29580   0.25000   0.00950
Mn4   0.31840   0.26960   0.30850   0.75000   0.00595
Fe4   0.31840   0.26960   0.30850   0.25000   0.00595
Mn5   0.09740   0.07100   0.46600   0.75000   0.00279
Fe5   0.09740   0.07100   0.46600   0.25000   0.00279
Mn6   0.08370   0.57470   0.44480   0.75000   0.00304
Fe6   0.08370   0.57470   0.44480   0.25000   0.00304
Mn7   0.39400   0.67460   0.03420   0.75000   0.00329
Fe7   0.39400   0.67460   0.03420   0.25000   0.00329
Mn8   0.42320   0.17810   0.04480   0.75000   0.00671
Fe8   0.42320   0.17810   0.04480   0.25000   0.00671
P1   0.07780   0.82250   0.37890   1.00000   0.00532
P2   0.07410   0.32740   0.38230   1.00000   0.00481
P3   0.42290   0.42300   0.11420   1.00000   0.00431
P4   0.42380   0.92850   0.11990   1.00000   0.00469
O1   0.04750   0.41320   0.46550   1.00000   0.00393
O2   0.05960   0.90560   0.47530   1.00000   0.00545
O3   0.42940   0.84160   0.01730   1.00000   0.00874
O4   0.45690   0.33780   0.02740   1.00000   0.00988
O5   0.02510   0.04780   0.23950   1.00000   0.00760
O6   0.04450   0.55420   0.22680   1.00000   0.00874
O7   0.47060   0.70310   0.26470   1.00000   0.00342
O8   0.46810   0.20200   0.26510   1.00000   0.00937
O9   0.17140   0.84900   0.31160   1.00000   0.00127
O10   0.16880   0.35950   0.31970   1.00000   0.00253
O11   0.32540   0.38410   0.16740   1.00000   0.01102
O12   0.34020   0.90570   0.20220   1.00000   0.00722
O13   0.11890   0.72770   0.47360   1.00000   0.00874
O14   0.11510   0.23280   0.47490   1.00000   0.01013
O15   0.38780   0.02080   0.02680   1.00000   0.00836
O16   0.38060   0.51160   0.01710   1.00000   0.00811
O-H17   0.25650   0.03130   0.43540   1.00000   0.00456
O-H18   0.20570   0.16130   0.19070   1.00000   0.00861
O-H19   0.24050   0.72040   0.06990   1.00000   0.00697
O-H20   0.30230   0.58220   0.31100   1.00000   0.00912