data_global
_chemical_name_mineral 'Pyromorphite'
loop_
_publ_author_name
'Okudera H'
_journal_name_full 'American Mineralogist'
_journal_volume 98 
_journal_year 2013
_journal_page_first 1573
_journal_page_last 1579
_publ_section_title
;
 Relationships among channel typology and atomic displacements in the structures
 of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)
;
_database_code_amcsd 0020247
_chemical_compound_source 'Daoping mine, Guangxi, China'
_chemical_formula_sum 'Pb4.695 Ca.01 P2.913 O12 Cl.956'
_cell_length_a 9.9791
_cell_length_b 9.9791
_cell_length_c 7.3439
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 633.345
_exptl_crystal_density_diffrn      6.761
_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
Pb1   0.33333   0.66667   0.00470   0.93900   0.01500
Ca1   0.33333   0.66667   0.00470   0.00200   0.01500
Pb2   0.25448   0.00580   0.25000   0.93900   0.01600
Ca2   0.25448   0.00580   0.25000   0.00200   0.01600
P   0.41002   0.37947   0.25000   0.97100   0.00800
O1   0.34400   0.48871   0.25000   1.00000   0.01900
O2   0.58908   0.47430   0.25000   1.00000   0.02000
O3   0.36151   0.27281   0.08146   1.00000   0.02000
Cl   0.00000   0.00000   0.00000   0.95600   0.01700
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
Pb1 0.01733 0.01733 0.00909 0.00866 0.00000 0.00000
Ca1 0.01733 0.01733 0.00909 0.00866 0.00000 0.00000
Pb2 0.01043 0.01326 0.02372 0.00550 0.00000 0.00000
Ca2 0.01043 0.01326 0.02372 0.00550 0.00000 0.00000
P 0.00824 0.00661 0.00984 0.00374 0.00000 0.00000
O1 0.02713 0.02084 0.01949 0.01912 0.00000 0.00000
O2 0.01114 0.01297 0.03380 0.00391 0.00000 0.00000
O3 0.02008 0.02040 0.01929 0.00908 -0.00983 -0.01136
Cl 0.01657 0.01657 0.01733 0.00828 0.00000 0.00000