data_global
_chemical_name_mineral 'Pyroxmangite'
loop_
_publ_author_name
'Pinckney L R'
'Burnham C W'
_journal_name_full 'American Mineralogist'
_journal_volume 73 
_journal_year 1988
_journal_page_first 809
_journal_page_last 817
_publ_section_title
;
 High-temperature crystal structure of pyroxmangite
 Sample: T = 24 C
;
_database_code_amcsd 0001168
_chemical_formula_sum 'Mn6.775 Mg.225 Si7 O21'
_cell_length_a 9.712
_cell_length_b 10.536
_cell_length_c 17.438
_cell_angle_alpha 112.15
_cell_angle_beta 102.88
_cell_angle_gamma 82.95
_cell_volume 1609.606
_exptl_crystal_density_diffrn      3.756
_symmetry_space_group_name_H-M 'C -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,-y,-z'
  '1/2-x,1/2-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  -0.00140   0.04150   0.10500   0.97300   0.00760
Mg1  -0.00140   0.04150   0.10500   0.02700   0.00760
Mn2  -0.00170   0.16950   0.31240   0.95200   0.00760
Mg2  -0.00170   0.16950   0.31240   0.04800   0.00760
Mn3   0.00160   0.06860   0.60570   0.96200   0.00760
Mg3   0.00160   0.06860   0.60570   0.03800   0.00760
Mn4   0.01440   0.17660   0.80640   0.96700   0.00760
Mg4   0.01440   0.17660   0.80640   0.03300   0.00760
Mn5   0.00400   0.26980   0.50980   1.00000   0.01140
Mn6   0.06180   0.26340   0.01770   0.92100   0.01140
Mg6   0.06180   0.26340   0.01770   0.07900   0.01140
Mn7  -0.00890   0.36930   0.20870   1.00000   0.01140
Si1   0.20240   0.44330   0.93500   1.00000   0.00760
Si2   0.21090   0.33220   0.75170   1.00000   0.00633
Si3   0.21240   0.53180   0.66270   1.00000   0.00633
Si4   0.20710   0.42580   0.46970   1.00000   0.00633
Si5   0.20960   0.63180   0.38050   1.00000   0.00633
Si6   0.20800   0.52960   0.18950   1.00000   0.00633
Si7   0.20360   0.71010   0.08950   1.00000   0.00633
OA1   0.12980   0.07090   0.02880   1.00000   0.00887
OA2   0.11940   0.18770   0.22670   1.00000   0.00760
OA3   0.11860   0.96320   0.31050   1.00000   0.00887
OA4   0.12320   0.09080   0.52060   1.00000   0.00760
OA5   0.12080   0.87060   0.60510   1.00000   0.00760
OA6   0.12460   0.98640   0.80610   1.00000   0.00760
OA7   0.13080   0.77940   0.89690   1.00000   0.00760
OA8   0.09840   0.84180   0.09430   1.00000   0.00760
OB1   0.13000   0.31230   0.92930   1.00000   0.01013
OB2   0.12550   0.19770   0.72390   1.00000   0.01013
OB3   0.12360   0.66250   0.71320   1.00000   0.00760
OB4   0.12200   0.28830   0.42750   1.00000   0.00887
OB5   0.12840   0.77450   0.42160   1.00000   0.00887
OB6   0.12100   0.39670   0.13400   1.00000   0.00887
OC1   0.16660   0.44960   0.84030   1.00000   0.00760
OC2   0.16250   0.40130   0.67910   1.00000   0.00760
OC3   0.16100   0.49970   0.56190   1.00000   0.00887
OC4   0.15180   0.53150   0.41900   1.00000   0.01013
OC5   0.15440   0.56770   0.27800   1.00000   0.01013
OC6   0.15690   0.65950   0.15810   1.00000   0.00760
OC7   0.14310   0.59190   0.99750   1.00000   0.00760