data_global
_chemical_name_mineral 'Braitschite-(Ce)'
loop_
_publ_author_name
'Rowland C E'
'Cahill C L'
'Post J E'
_journal_name_full 'American Mineralogist'
_journal_volume 96 
_journal_year 2011
_journal_page_first 197
_journal_page_last 201
_publ_section_title
;
 The structure of braitschite, a calcium rare earth borate
;
_database_code_amcsd 0017877
_chemical_compound_source 'Cane Creek mine near Moab, Utah, USA'
_chemical_formula_sum 'Ca6.16 Na.84 Ce1.11 Y.216 La.663 Pr.144 Nd.534 Sm.144 Eu.057 Gd.042 Tb.015 Dy.042 Ho.015 Er.015 B24 O53 H14.6'
_cell_length_a 12.1506
_cell_length_b 12.1506
_cell_length_c 7.3678
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 942.028
_exptl_crystal_density_diffrn      3.179
_symmetry_space_group_name_H-M 'P 6/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,-z'
  'x-y,x,z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,-z'
  '-x,-y,z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,-z'
  'y,-x+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
Ca1   0.31470   0.31240   0.00000   0.86000   0.01100
Na1   0.31470   0.31240   0.00000   0.14000   0.01100
Ca2   0.00000   0.00000   0.50000   1.00000   0.05400
Ce   0.50000   0.50000   0.50000   0.37000   0.01300
Y   0.50000   0.50000   0.50000   0.07200   0.01300
La   0.50000   0.50000   0.50000   0.22100   0.01300
Pr   0.50000   0.50000   0.50000   0.04800   0.01300
Nd   0.50000   0.50000   0.50000   0.17800   0.01300
Sm   0.50000   0.50000   0.50000   0.04800   0.01300
Eu   0.50000   0.50000   0.50000   0.01900   0.01300
Gd   0.50000   0.50000   0.50000   0.01400   0.01300
Tb   0.50000   0.50000   0.50000   0.00500   0.01300
Dy   0.50000   0.50000   0.50000   0.01400   0.01300
Ho   0.50000   0.50000   0.50000   0.00500   0.01300
Er   0.50000   0.50000   0.50000   0.00500   0.01300
B1   0.18770   0.41150   0.32050   1.00000   0.01500
B2   0.38940   0.58080   0.17570   1.00000   0.01500
O1   0.32560   0.48180   0.31340   0.95000   0.01600
O-H1   0.32560   0.48180   0.31340   0.05000   0.01600
O2   0.36900   0.52150   0.00000   1.00000   0.01500
O3   0.33333   0.66667   0.18480   1.00000   0.01300
O4   0.52390   0.65390   0.21990   1.00000   0.01700
O5   0.13400   0.38310   0.50000   1.00000   0.02000
O-H6   0.14180   0.28770   0.21100   1.00000   0.02400
Wat   0.00000   0.00000   0.00000   1.00000   0.05700