data_global
_chemical_name_mineral 'Kryzhanovskite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
'Kampf A R'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 43 
_journal_year 1980
_journal_page_first 789
_journal_page_last 795
_publ_section_title
;
 Nomenclature of the phosphoferrite structure type:
 refinements of landesite and kryzhanovskite
;
_database_code_amcsd 0014473
_chemical_compound_source 'co-type sample from Ak-Kezen pegmatite, Belogorskii, Eastern Kazakhstan'
_chemical_formula_sum 'Mn Fe2 P2 O11 H6'
_cell_length_a 9.450
_cell_length_b 10.013
_cell_length_c 8.179
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 773.920
_exptl_crystal_density_diffrn      3.524
_symmetry_space_group_name_H-M 'P b n a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,z'
  'x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-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_occupancy
_atom_site_U_iso_or_equiv
Mn2+M2   0.05105   0.11205   0.63602   0.50000   0.01773
Fe3+M2   0.05105   0.11205   0.63602   0.50000   0.01773
Fe3+M1   0.00000   0.00000   0.00000   1.00000   0.01469
P   0.20931   0.10344   0.28853   1.00000   0.00785
O1   0.21310   0.25410   0.32910   1.00000   0.01254
O2   0.11190   0.03200   0.41280   1.00000   0.01229
O3   0.36140   0.04460   0.30330   1.00000   0.01381
O4   0.15730   0.08400   0.11480   1.00000   0.01456
Wat1  -0.06720   0.25000   0.50000   1.00000   0.02128
Wat2  -0.03030   0.33890   0.13580   1.00000   0.01596
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
Mn2+M2 0.01896 0.01575 0.01840 -0.00772 -0.00258 -0.00195
Fe3+M2 0.01896 0.01575 0.01840 -0.00772 -0.00258 -0.00195
Fe3+M1 0.00905 0.01773 0.01722 -0.00187 -0.00172 -0.00199
P 0.00493 0.00620 0.01254 -0.00024 0.00043 0.00058
O1 0.01131 0.00645 0.01993 -0.00139 -0.00078 -0.00083
O2 0.00661 0.01041 0.01983 -0.00144 0.00345 0.00448
O3 0.00520 0.01453 0.02172 0.00307 0.00192 0.00465
O4 0.01045 0.01813 0.01501 -0.00369 -0.00078 -0.00606
Wat1 0.03289 0.00996 0.02084 0.00000 0.00000 0.00054
Wat2 0.00665 0.01234 0.02901 -0.00254 -0.00168 0.00618