data_2012413
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  i18
_journal_page_last  i20
_publ_section_title
;
Monoclinic AlPO~4~ tridymite at 473 and 463 K, from X-ray powder data
;
loop_
_publ_author_name
  'Graetsch, Heribert A.'
_chemical_formula_moiety  'O4 P Al'
_chemical_formula_sum  'Al O4 P'
_chemical_formula_structural  'Al P O4'
_chemical_formula_iupac  'Al P O4'
_chemical_formula_weight  121.95
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 1 21'
_symmetry_space_group_name_Hall  'P 1 1 2~c~'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 x,y,z
  2 -x,-y,1/2+z
_cell_length_a  5.0800(2)
_cell_length_b  5.0748(2)
_cell_length_c  8.3009(3)
_cell_angle_alpha  90.0
_cell_angle_beta  90.0
_cell_angle_gamma  119.6253(2)
_cell_volume  186.025(13)
_cell_formula_units_Z  2
_cell_measurement_temperature  473
_exptl_crystal_density_diffrn  2.1770(10)
_diffrn_ambient_temperature  473
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
  Al .3539(16) .6361(15) .06250 .060(10)
  Uani 1 Al
  P .3137(17) .6982(16) .4371(4) .050(10)
  Uani 1 P
  O1 .3346(17) .6673(18) .2621(4) .110(10)
  Uani 1 O
  O2 .545(4) -.022(2) -.0226(11) .120(10)
  Uani 1 O
  O3 .007(3) .451(4) -.0163(12) .140(10)
  Uani 1 O
  O4 .535(4) .441(4) .0247(8) .110(10)
  Uani 1 O
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
  Al .057(6) .056(6) .060(5) .032(5) -.022(7) -.030(7)
  P .053(5) .049(5) .044(4) .024(4) .003(8) .007(8)
  O1 .16(2) .14(2) .034(4) .080(8) .04(3) .02(3)
  O2 .23(3) .10(3) .07(2) .09(2) .04(3) .01(2)
  O3 .024(11) .14(2) .18(3) .016(11) -.05(2) -.03(3)
  O4 .18(2) .12(2) .11(2) .12(2) -.01(3) -.04(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Al O1 . 1.672(4) no
  Al O2 1_565 1.669(11) no
  Al O3 . 1.667(12) no
  Al O4 . 1.681(13) no
  O1 O2 1_565 2.75(2) no
  O1 O3 . 2.74(2) no
  O1 O4 . 2.72(2) no
  O2 O3 1_545 2.72(2) no
  O2 O4 1_545 2.73(2) no
  O3 O4 . 2.73(2) no
  P O1 . 1.471(5) no
  P O2 2_665 1.470(12) no
  P O3 2_565 1.469(11) no
  P O4 2_665 1.468(13) no
  O1 O2 2_665 2.39(2) no
  O1 O3 2_565 2.39(2) no
  O1 O4 2_665 2.42(2) no
  O2 O3 1_655 2.39(2) no
  O2 O4 . 2.41(2) no
  O3 O4 1_455 2.40(2) no
  Al P . 3.142(4) no
  Al P 2_564 3.127(7) no
  Al P 2_664 3.106(7) no
  Al P 2_674 3.116(10) no