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 = 400 C
;
_database_code_amcsd 0001170
_chemical_formula_sum 'Mn6.775 Mg.225 Si7 O21'
_cell_length_a 9.739
_cell_length_b 10.585
_cell_length_c 17.482
_cell_angle_alpha 112.02
_cell_angle_beta 102.66
_cell_angle_gamma 82.97
_cell_volume 1628.479
_exptl_crystal_density_diffrn      3.713
_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  -0.00130   0.04010   0.10520   0.97300   0.01900
Mg1  -0.00130   0.04010   0.10520   0.02700   0.01900
Mn2  -0.00180   0.16930   0.31320   0.95200   0.01900
Mg2  -0.00180   0.16930   0.31320   0.04800   0.01900
Mn3   0.00210   0.07090   0.60630   0.96200   0.01773
Mg3   0.00210   0.07090   0.60630   0.03800   0.01773
Mn4   0.01590   0.17820   0.80690   0.96700   0.02026
Mg4   0.01590   0.17820   0.80690   0.03300   0.02026
Mn5   0.00420   0.26950   0.50950   1.00000   0.02533
Mn6   0.06260   0.26470   0.01900   0.92100   0.02786
Mg5   0.06260   0.26470   0.01900   0.07900   0.02786
Mn7  -0.01030   0.36870   0.20950   1.00000   0.02660
Si1   0.20370   0.44380   0.93600   1.00000   0.01520
Si2   0.21190   0.33380   0.75220   1.00000   0.01267
Si3   0.21290   0.53270   0.66250   1.00000   0.01393
Si4   0.20730   0.42520   0.46960   1.00000   0.01393
Si5   0.20990   0.63070   0.38010   1.00000   0.01267
Si6   0.20720   0.52890   0.18970   1.00000   0.01393
Si7   0.20350   0.70880   0.08950   1.00000   0.01393
OA1   0.13080   0.07160   0.02990   1.00000   0.01900
OA2   0.11980   0.18630   0.22720   1.00000   0.01520
OA3   0.11910   0.96200   0.31120   1.00000   0.01646
OA4   0.12500   0.09140   0.52120   1.00000   0.01900
OA5   0.12250   0.87190   0.60520   1.00000   0.01773
OA6   0.12650   0.98870   0.80730   1.00000   0.01900
OA7   0.13360   0.78040   0.89580   1.00000   0.01646
OA8   0.09910   0.83940   0.09400   1.00000   0.01773
OB1   0.13200   0.31350   0.93160   1.00000   0.02026
OB2   0.12550   0.20090   0.72360   1.00000   0.01773
OB3   0.12380   0.66340   0.71140   1.00000   0.01900
OB4   0.12180   0.28980   0.42810   1.00000   0.02026
OB5   0.12740   0.77180   0.42120   1.00000   0.02026
OB6   0.12140   0.39690   0.13570   1.00000   0.02026
OC1   0.17060   0.44870   0.84100   1.00000   0.01646
OC2   0.16420   0.40460   0.68090   1.00000   0.02026
OC3   0.16300   0.49770   0.56160   1.00000   0.02153
OC4   0.15330   0.53010   0.41910   1.00000   0.02280
OC5   0.15570   0.56760   0.27900   1.00000   0.02533
OC6   0.15680   0.65700   0.15810   1.00000   0.01773
OC7   0.14540   0.59120   0.99760   1.00000   0.01773