data_global
_chemical_name_mineral 'Peprossiite-(Ce)'
loop_
_publ_author_name
'Callegari A'
'Caucia F'
'Mazzi F'
'Oberti R'
'Ottolini L'
'Ungaretti L'
_journal_name_full 'American Mineralogist'
_journal_volume 85 
_journal_year 2000
_journal_page_first 586
_journal_page_last 593
_publ_section_title
;
 The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like borate
 with square-pyramidal coordination for Al
 Sample: Pep1
;
_database_code_amcsd 0002424
_chemical_formula_sum 'Pr.818 Ca.102 Al2 (B3.868 Si.132) O10.667'
_cell_length_a 4.612
_cell_length_b 4.612
_cell_length_c 9.374
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 172.677
_exptl_crystal_density_diffrn      3.746
_symmetry_space_group_name_H-M 'P -6 2 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  '-x+y,-x,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x-y,-y,z'
  'x,y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  'y,x,z'
  '-y,x-y,-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
PrM2   0.00000   0.00000   0.00000   0.81800
CaM2   0.00000   0.00000   0.00000   0.10200
AlM1   0.38890   0.00000   0.50000   0.66667
BT   0.33333   0.66667   0.22020   0.96700
SiT   0.33333   0.66667   0.22020   0.03300
O1   0.33333   0.66667   0.37540   1.00000
O2   0.42150   0.00000   0.16120   1.00000
O3   0.00000   0.00000   0.50000   0.66667
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
PrM2 0.01220 0.01220 0.00830 0.00610 0.00000 0.00000
CaM2 0.01220 0.01220 0.00830 0.00610 0.00000 0.00000
AlM1 0.00460 0.00480 0.00600 0.00240 0.00000 0.00000
BT 0.00780 0.00780 0.00590 0.00390 0.00000 0.00000
SiT 0.00780 0.00780 0.00590 0.00390 0.00000 0.00000
O1 0.00920 0.00920 0.00540 0.00460 0.00000 0.00000
O2 0.01310 0.00720 0.00870 0.00360 -0.00300 0.00000
O3 0.00460 0.00460 0.00860 0.00230 0.00000 0.00000