data_global
_chemical_name_mineral 'Manganilvaite'
loop_
_publ_author_name
'Zotov N'
'Kockelmann W'
'Jacobsen S D'
'Mitov I'
'Paneva D'
'Vassileva R D'
'Bonev I K'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 43 
_journal_year 2005
_journal_page_first 1043
_journal_page_last 1053
_publ_section_title
;
 Structure and cation order in manganilvaite:
 a combined X-ray-diffraction, neutron-diffraction and mossbauer study
 Sample: Ossikovo Pb-Zn skarn, Rhodope Mountains, Bulgaria
 Sample: single crystal X-ray analysis
;
_database_code_amcsd 0006025
_chemical_formula_sum 'Ca Fe2.44 Mn.56 Si2 O9 H'
_cell_length_a 13.015
_cell_length_b 8.8430
_cell_length_c 5.8396
_cell_angle_alpha 90
_cell_angle_beta 90.11
_cell_angle_gamma 90
_cell_volume 672.088
_exptl_crystal_density_diffrn      4.035
_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
Ca   0.81298   0.36996   0.75154   1.00000   0.00750
Fe2+M11   0.89021   0.04995   0.00689   0.83000   0.00734
Fe3+M11   0.89021   0.04995   0.00689   0.17000   0.00734
Fe2+M12   0.89018   0.05095   0.49337   0.17000   0.00704
Fe3+M12   0.89018   0.05095   0.49337   0.83000   0.00704
MnM2   0.93987   0.73906   0.24925   0.56000   0.00738
Fe2+M2   0.93987   0.73906   0.24925   0.44000   0.00738
Si1   0.95890   0.36741   0.24950   1.00000   0.00500
Si2   0.67971   0.22663   0.25110   1.00000   0.00520
O1   0.00920   0.02640   0.74430   1.00000   0.01020
O21   0.93660   0.27170   0.01580   1.00000   0.00780
O22   0.93610   0.27160   0.48440   1.00000   0.00790
O3   0.77670   0.10810   0.25260   1.00000   0.00770
O41   0.67150   0.32820   0.01850   1.00000   0.00790
O42   0.67130   0.33030   0.48210   1.00000   0.00740
O5   0.58450   0.10180   0.25150   1.00000   0.00680
O6   0.60330   0.02240   0.75130   1.00000   0.01070
O7   0.79780   0.11030   0.74740   1.00000   0.00760
H   0.73300   0.09400   0.74300   1.00000   0.00600