data_global
_chemical_name_mineral 'Gaudefroyite'
loop_
_publ_author_name
'Antao S M'
'Hassan I'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 46 
_journal_year 2008
_journal_page_first 183
_journal_page_last 193
_publ_section_title
;
 Gaudefroyite, Ca8Mn3+6[(BO3)6(CO3)2O6]: high-temperature crystal structure
 Sample: T = 350 C
;
_database_code_amcsd 0006175
_chemical_compound_source 'Wessels mine, Kalahari manganese field, South Africa'
_chemical_formula_sum 'Ca4 B3 Mn3 C O15'
_cell_length_a 10.65448
_cell_length_b 10.65448
_cell_length_c 5.91703
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 581.700
_exptl_crystal_density_diffrn      3.480
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+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
Ca1   0.33333   0.66667   0.25000   1.00000   0.02210
Ca2   0.13372   0.83245   0.25000   1.00000   0.02210
B   0.21700   0.77460   0.75000   1.00000   0.01130
Mn   0.00000   0.50000   0.00000   1.00000   0.00860
C   0.00000   0.00000   0.05220   0.50000   0.01130
O1   0.09273   0.47560   0.25000   1.00000   0.03420
O2   0.31846   0.91950   0.75000   1.00000   0.03420
O3   0.30799   0.47470   0.54170   1.00000   0.03420
OC   0.05851   0.91570   0.56420   0.50000   0.03420