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 all F_o's, this is the better refinement
;
_database_code_amcsd 0010707
_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   0.18720   0.47840   0.18820   0.75000   0.00507
Fe1   0.18720   0.47840   0.18820   0.25000   0.00507
Mn2   0.19690   0.99680   0.21020   0.75000   0.01013
Fe2   0.19690   0.99680   0.21020   0.25000   0.01013
Mn3   0.30460   0.75180   0.29580   0.75000   0.00937
Fe3   0.30460   0.75180   0.29580   0.25000   0.00937
Mn4   0.31830   0.26960   0.30860   0.75000   0.00633
Fe4   0.31830   0.26960   0.30860   0.25000   0.00633
Mn5   0.09720   0.07100   0.46600   0.75000   0.00266
Fe5   0.09720   0.07100   0.46600   0.25000   0.00266
Mn6   0.08350   0.57480   0.44470   0.75000   0.00329
Fe6   0.08350   0.57480   0.44470   0.25000   0.00329
Mn7   0.39390   0.67460   0.03430   0.75000   0.00266
Fe7   0.39390   0.67460   0.03430   0.25000   0.00266
Mn8   0.42300   0.17800   0.04480   0.75000   0.00684
Fe8   0.42300   0.17800   0.04480   0.25000   0.00684
P1   0.07820   0.82190   0.37910   1.00000   0.00532
P2   0.07460   0.32680   0.38240   1.00000   0.00481
P3   0.42330   0.42240   0.11440   1.00000   0.00431
P4   0.42420   0.92800   0.12000   1.00000   0.00494
O1   0.04760   0.41310   0.46590   1.00000   0.00481
O2   0.05990   0.90540   0.47570   1.00000   0.00722
O3   0.43000   0.84120   0.01770   1.00000   0.00811
O4   0.45710   0.33750   0.02790   1.00000   0.00887
O5   0.02540   0.04720   0.23850   1.00000   0.01026
O6   0.04500   0.55360   0.22610   1.00000   0.00849
O7   0.47060   0.70250   0.26390   1.00000   0.00203
O8   0.46840   0.20140   0.26400   1.00000   0.00747
O9   0.17180   0.84910   0.31190   1.00000   0.00367
O10   0.16940   0.35930   0.31950   1.00000   0.00431
O11   0.32540   0.38400   0.16740   1.00000   0.00798
O12   0.34020   0.90530   0.20230   1.00000   0.00595
O13   0.11910   0.72800   0.47400   1.00000   0.00988
O14   0.11540   0.23330   0.47680   1.00000   0.00861
O15   0.38780   0.02150   0.02840   1.00000   0.00836
O16   0.38080   0.51200   0.01830   1.00000   0.00861
O-H17   0.25650   0.03130   0.43540   1.00000   0.00393
O-H18   0.20530   0.16120   0.19110   1.00000   0.00773
O-H19   0.24100   0.72050   0.06930   1.00000   0.00671
O-H20   0.30240   0.58230   0.31170   1.00000   0.00874