data_global
_chemical_name_mineral 'Manganvesuvianite'
loop_
_publ_author_name
'Armbruster T'
'Gnos E'
'Dixon R'
'Gutzmer J'
'Hejny C'
'Dobelin N'
'Medenbach O'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 66 
_journal_year 2002
_journal_page_first 137
_journal_page_last 150
_publ_section_title
;
 Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals
 from the Kalahari manganese fields, South Africa
;
_database_code_amcsd 0014562
_chemical_compound_source 'Kalahari manganese fields, South Africa'
_chemical_formula_sum 'Ca9.5 Mn1.35 Al5.15 Si9 O39 H4'
_cell_length_a 15.575
_cell_length_b 15.575
_cell_length_c 11.824
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2868.273
_exptl_crystal_density_diffrn      3.415
_symmetry_space_group_name_H-M 'P 4/n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+y,-x,-z'
  '1/2-y,x,z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  '-y,1/2+x,-z'
  'y,1/2-x,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
CaX1  -0.25000   0.25000   0.25040   1.00000   0.01026
CaX2A   0.18951  -0.04395   0.62112   1.00000   0.01064
CaX2B  -0.04570   0.18816  -0.12041   1.00000   0.01026
CaX3A   0.09891   0.17897   0.11669   1.00000   0.01710
CaX3B  -0.39895  -0.18214  -0.39052   1.00000   0.01608
MnY2A   0.00000   0.00000   0.00000   0.10000   0.00874
AlY2A   0.00000   0.00000   0.00000   0.90000   0.00874
MnY2B  -0.50000   0.00000   0.50000   0.05000   0.00874
AlY2B  -0.50000   0.00000   0.50000   0.95000   0.00874
MnY3A  -0.11226   0.11962   0.12497   0.19000   0.00925
AlY3A  -0.11226   0.11962   0.12497   0.81000   0.00925
MnY3B  -0.38839   0.12156   0.37384   0.16000   0.00937
AlY3B  -0.38839   0.12156   0.37384   0.84000   0.00937
CaX4B   0.25000   0.25000  -0.14690   0.32400   0.01393
MnY1B   0.25000   0.25000   0.54280   0.32400   0.01165
CaX4A   0.25000   0.25000   0.64750   0.67600   0.01203
MnY1A   0.25000   0.25000  -0.04540   0.67600   0.01026
SiZ1A  -0.25000   0.25000   0.00000   1.00000   0.00930
SiZ1B  -0.25000   0.25000   0.50000   1.00000   0.00930
SiZ2A  -0.04035   0.31890   0.12920   1.00000   0.00930
SiZ2B  -0.04115   0.18017   0.37190   1.00000   0.00930
SiZ3A   0.08686   0.34911  -0.13520   1.00000   0.00930
SiZ3B   0.08199   0.15100   0.63570   1.00000   0.00930
O1A  -0.22120   0.17250   0.08580   1.00000   0.01089
O1B  -0.28080   0.17240   0.41480   1.00000   0.01064
O2A  -0.11740   0.33850   0.22120   1.00000   0.01241
O2B  -0.11770   0.15880   0.28030   1.00000   0.01140
O3A  -0.04700   0.22190   0.07510   1.00000   0.01191
O3B  -0.04780   0.27670   0.42530   1.00000   0.01013
O4A  -0.06140   0.39340   0.03210   1.00000   0.01279
O4B  -0.06200   0.10590   0.47110   1.00000   0.01115
O5A  -0.01040   0.32720  -0.17710   1.00000   0.01469
O5B  -0.01500   0.17010   0.67970   1.00000   0.01368
O6A   0.12560   0.27280  -0.05720   1.00000   0.01735
O6B   0.11810   0.22850   0.55980   1.00000   0.01697
O7A   0.05610   0.32620   0.18050   1.00000   0.01570
O7B   0.05540   0.17220   0.32320   1.00000   0.01343
O8A   0.09280   0.43860  -0.06600   1.00000   0.01064
O8B   0.09090   0.06100   0.56780   1.00000   0.01203
O9   0.14790   0.35620  -0.24960   1.00000   0.01381
O10A   0.25000   0.25000   0.13440   1.00000   0.01697
O10B  -0.25000  -0.25000  -0.36480   1.00000   0.01608
O-H11A  -0.00480   0.06000   0.13670   1.00000   0.01203
O-H11B  -0.49600   0.06260   0.36450   1.00000   0.01292